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Author |
Neyts, E.C.; Thijsse, B.J.; Mees, M.J.; Bal, K.M.; Pourtois, G. |
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Title |
Establishing uniform acceptance in force biased Monte Carlo simulations |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Journal of chemical theory and computation |
Abbreviated Journal |
J Chem Theory Comput |
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Volume |
8 |
Issue |
6 |
Pages |
1865-1869 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Uniform acceptance force biased Monte Carlo (UFMC) simulations have previously been shown to be a powerful tool to simulate atomic scale processes, enabling one to follow the dynamical path during the simulation. In this contribution, we present a simple proof to demonstrate that this uniform acceptance still complies with the condition of detailed balance, on the condition that the characteristic parameter lambda = 1/2 and that the maximum allowed step size is chosen to be sufficiently small. Furthermore, the relation to Metropolis Monte Carlo (MMC) is also established, and it is shown that UFMC reduces to MMC by choosing the characteristic parameter lambda = 0 [Rao, M. et al. Mol. Phys. 1979, 37, 1773]. Finally, a simple example compares the UFMC and MMC methods. |
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Wos |
000305092400002 |
Publication Date |
2012-05-16 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1549-9618;1549-9626; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.245 |
Times cited |
20 |
Open Access |
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Notes |
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Approved |
Most recent IF: 5.245; 2012 IF: 5.389 |
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Call Number |
UA @ lucian @ c:irua:99090 |
Serial |
1082 |
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Permanent link to this record |
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Author |
Filez, M.; Redekop, E.A.; Poelman, H.; Galvita, V.V.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Detavernier, C.; Marin, G.B. |
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Title |
One-pot synthesis of Pt catalysts based on layered double hydroxides: an application in propane dehydrogenation |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Catalysis science & technology |
Abbreviated Journal |
Catal Sci Technol |
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Volume |
6 |
Issue |
6 |
Pages |
1863-1869 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Simple methods for producing noble metal catalysts with well-defined active sites and improved performance are highly desired in the chemical industry. However, the development of such methods still presents a formidable synthetic challenge. Here, we demonstrate a one-pot synthesis route for the controlled production of bimetallic Pt–In catalysts based on the single-step formation of Mg,Al,Pt,In-containing layered double hydroxides (LDHs). Besides their simple synthesis, these Pt–In catalysts exhibit superior propane dehydrogenation activity compared to their multi-step synthesized analogs. The presented material serves as a showcase for the one-pot synthesis of a broader class of LDH-derived mono- and multimetallic Pt catalysts. The compositional flexibility provided by LDH materials can pave the way towards highperforming Pt-based catalysts with tunable physicochemical properties. |
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Wos |
000372172800031 |
Publication Date |
2015-10-23 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2044-4753 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.773 |
Times cited |
12 |
Open Access |
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Notes |
This work was supported by the Fund for Scientific Research Flanders (FWO: G.0209.11), the ‘Long Term Structural Methusalem Funding by the Flemish Government’, the IAP 7/05 Interuniversity Attraction Poles Programme – Belgian State – Belgian Science Policy, and the Fund for Scientific Research Flanders (FWO-Vlaanderen) by supplying financing of beam time at the DUBBLE beamline of the ESRF and travel costs and a post-doctoral fellowship for S. T. The authors acknowledge the assistance from the DUBBLE (XAS campaign 26-01-979) and SuperXAS staff (Proposal 20131191). E. A. Redekop acknowledges the Marie Curie International Incoming Fellowship granted by the European Commission (Grant Agreement No. 301703). The authors also express their gratitude to O. Janssens for performing ex situ XRD characterization. |
Approved |
Most recent IF: 5.773 |
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Call Number |
c:irua:133167 |
Serial |
4057 |
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Permanent link to this record |
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Author |
Afanasov, I.M.; Shornikova, O.N.; Kirilenko, D.A.; Vlasov, I.I.; Zhang, L.; Verbeeck, J.; Avdeev, V.V.; Van Tendeloo, G. |
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Title |
Graphite structural transformations during intercalation by HNO3 and exfoliation |
Type |
L1 Letter to the editor |
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Year |
2010 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
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Volume |
48 |
Issue |
6 |
Pages |
1862-1865 |
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Keywords |
L1 Letter to the editor; Electron microscopy for materials research (EMAT) |
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Abstract |
Expandable graphite of two types was synthesized by (1) hydrolysis of graphite nitrate of II stage and (2) anodic polarization of graphite in 60% HNO3. Exfoliated graphite samples were produced by thermal shock of expandable graphite samples in air at 900 °C. A comparative study of microstructural distinctions of both expandable and exfoliated graphite samples was carried out using X-ray diffraction, Raman spectroscopy, electron energy loss spectroscopy and high resolution transmission electron microscopy. |
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Thesis |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000276132800021 |
Publication Date |
2010-02-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0008-6223; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.337 |
Times cited |
43 |
Open Access |
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Notes |
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Approved |
Most recent IF: 6.337; 2010 IF: 4.896 |
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Call Number |
UA @ lucian @ c:irua:82315UA @ admin @ c:irua:82315 |
Serial |
1379 |
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Permanent link to this record |
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Author |
Van Dyck, P.M.; Van Grieken, R.E. |
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Title |
Absorption correction via scattered radiation in energy-dispersive X-ray fluorescence analysis for samples of variable composition and thickness |
Type |
A1 Journal article |
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Year |
1980 |
Publication |
Analytical chemistry |
Abbreviated Journal |
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Volume |
52 |
Issue |
12 |
Pages |
1859-1864 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
A1980KJ65700021 |
Publication Date |
2005-03-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:116516 |
Serial |
7410 |
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Permanent link to this record |
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Author |
van Straaten, M.; Gijbels, R.; Vertes, A. |
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Title |
Influence of axial and radial diffusion processes on the analytical performance of a glow discharge cell |
Type |
A1 Journal article |
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Year |
1992 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
64 |
Issue |
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Pages |
1855-1863 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Place of Publication |
Washington, D.C. |
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Wos |
A1992JK79600022 |
Publication Date |
2005-03-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700;1520-6882; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.636 |
Times cited |
43 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:4199 |
Serial |
1617 |
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Permanent link to this record |
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Author |
Anaf, W.; Horemans, B.; Madeira, T.I.; Carvalho, M.L.; De Wael, K.; Van Grieken, R. |
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Title |
Effects of a constructional intervention on airborne and deposited particulate matter in the Portuguese National Tile Museum, Lisbon |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Environmental Science and Pollution Research |
Abbreviated Journal |
Environ Sci Pollut R |
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Volume |
20 |
Issue |
3 |
Pages |
1849-1857 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
In the 1970s, a large ambulatory of the National Tile Museum, Lisbon, was closed with glass panes on both ground and first floor. Although this design was meant to protect the museum collection from ambient air pollutants, small openings between the glass panes remain, creating a semi-enclosed corridor. The effects of the glass panes on the indoor air quality were evaluated in a comparative study by monitoring the airborne particle concentration and the extent of particle deposition at the enclosed corridor as well as inside the museum building. Comparison of the indoor/outdoor ratio of airborne particle concentration demonstrated a high natural ventilation rate in the enclosed corridor as well as inside the museum building. PM10 deposition velocities on vertical surfaces were estimated in the order of 3 × 10−4 m s−1 for both indoor locations. Also, the deposition rates of dark-coloured and black particles in specific were very similar at both indoor locations, causing visual degradation. The effectiveness of the glass panes in protecting the museum collection is discussed. |
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Corporate Author |
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Wos |
000315442500061 |
Publication Date |
2012-07-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0944-1344; 1614-7499 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.741 |
Times cited |
15 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.741; 2013 IF: 2.757 |
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Call Number |
UA @ admin @ c:irua:100214 |
Serial |
5583 |
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Permanent link to this record |
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Author |
Thomassen, G.; Egiguren Vila, U.; Van Dael, M.; Lemmens, B.; Van Passel, S. |
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Title |
A techno-economic assessment of an algal-based biorefinery |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Clean Technologies And Environmental Policy |
Abbreviated Journal |
Clean Technol Envir |
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Volume |
18 |
Issue |
6 |
Pages |
1849-1862 |
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Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
Economic and technological assessments have identified difficulties with the commercialization of bulk products from microalgae, like biofuels. To overcome these problems, a multi-product algal-based biorefinery has been proposed. This paper performs a techno-economic assessment of such a biorefinery. Four production pathways, ranging from a base case with commercial technologies to an improved case with innovative technologies, are analyzed. All region-specific parameters were adapted to Belgian conditions. Three scenarios result in techno-economically viable production plants. The most profitable scenario is the scenario which uses a specialized membrane for medium recycling and an open pond algae cultivation. Although the inclusion of a photobioreactor decreases the culture medium costs, the higher investment costs result in lower economic profits. The carotenoid content and price are identified as critical parameters. Furthermore, the economies of scale assumption for the photobioreactor is critical for the feasibility of this cultivation technology. The techno-economic assessment is an important methodology to guide and evaluate further improvements in research and shorten the time-to-market for innovative technologies in this field. |
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Place of Publication |
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Wos |
000384470700017 |
Publication Date |
2016-03-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1618-954x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
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Impact Factor |
3.331 |
Times cited |
24 |
Open Access |
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Notes |
; We would like to thank Herman Beckers, Metin Bulut, Frans Snijkers, Joris van der Have, Jan Vanderheyden, Leen Bastiaens, and Lies Eykens for the provision of technological and economic data and the useful discussions on the assumptions in the model. We would also like to thank Eva Cordery for proofreading the article and the anonymous reviewers for their valuable feedback and suggestions. Furthermore, we gratefully acknowledge the financial support of the Fundacion Novia Salcedo. ; |
Approved |
Most recent IF: 3.331 |
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Call Number |
UA @ admin @ c:irua:139027 |
Serial |
6262 |
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Permanent link to this record |
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Author |
Rafiaani, P.; Kuppens, T.; Van Dael, M.; Azadi, H.; Lebailly, P.; Van Passel, S. |
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Title |
Social sustainability assessments in the biobased economy : towards a systemic approach |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Renewable & Sustainable Energy Reviews |
Abbreviated Journal |
Renew Sust Energ Rev |
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Volume |
82 |
Issue |
2 |
Pages |
1839-1853 |
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Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
The majority of impact assessments for the biobased economy are primarily focused on the environmental and (techno-)economic aspects, while social aspects are rarely considered. This study proposes a modified systemic approach for a social sustainability impact assessment of the biobased economy, based on a review on the common methodologies for assessing social impacts. Accordingly, the proposed approach follows the four general iterative steps of social life cycle analysis (SLCA) as it considers all life cycle phases of the biobased economy. The systemic approach considers the potential social impacts on local communities, workers, and consumers as the main three groups of the stakeholders. The review showed that the most common social indicators for inventory analysis within the biobased economy include health and safety, food security, income, employment, land- and worker-related concerns, energy security, profitability, and gender issues. Multi-criteria decision analysis (MCDA) was also highlighted as the broadly utilized methodology for aggregating the results of impact assessments within the biobased economy. Taking a life cycle perspective, this study provides a holistic view of the full sustainability of research, design, and innovation in the biobased economy by suggesting the integration of the social aspects with techno-economic and an environmental life cycle assessment. Our proposed systemic approach makes possible to integrate the social impacts that are highly valued by the affected stakeholders into the existing sustainability models that focus only on environmental and techno-economic aspects. We discuss the steps of the proposed systemic approach in order to identify the challenges of applying them within the biobased economy. These challenges refer mainly to the definition of the functional unit and system boundaries, the selection and the analysis of social indicators (inventory analysis), the aggregation of the inventory to impact categories, and the uncertainties associated with the social sustainability evaluation. The result of this review and the proposed systemic approach serve as a foundation for industry and policy makers to gain a better insight into the importance of social sustainability impacts assessment within the biobased economy. |
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Wos |
000423371300014 |
Publication Date |
2017-08-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1364-0321; 1879-0690 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.05 |
Times cited |
28 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 8.05 |
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Call Number |
UA @ admin @ c:irua:149031 |
Serial |
6250 |
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Permanent link to this record |
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Author |
Pilehvar, S.; Jambrec, D.; Gebala, M.; Schuhmann, W.; De Wael, K. |
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Title |
Intercalation of proflavine in ssDNA aptamers : effect on binding of the specific target chloramphenicol |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Electroanalysis |
Abbreviated Journal |
Electroanal |
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Volume |
27 |
Issue |
8 |
Pages |
1836-1841 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The structural modification of ssDNA-based aptamers upon specific binding of its target molecule leads to changes of the charge-transfer resistance (Rct) of a negatively-charged free-diffusing redox probe. The aptamer adopts a structure due to self-hybridization which is stabilized using profalvine as intercalator. The pre-organized aptamer structure is used to detect chloramphenicol (CAP) requiring a substantial change of the aptamer structure indicated by a CAP concentration dependent increase in the Rct values. Pre-incubation of the aptamer-modified electrode with an intercalator allows for the modulation of the aptamer/target interaction and hence for a modulation of the CAP-dependent variation of the Rct values. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000359737500006 |
Publication Date |
2015-06-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1040-0397 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.851 |
Times cited |
5 |
Open Access |
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Notes |
; D. J., M. G., W. S. are grateful for financial support to the Deutsch-Israelische Projektkooperation (DIP) in the framework of the project “Nanoengineered optoelectronics with biomaterials and bioinspired assemblies” funded by the Deutsche Forschungsgemeinschaft. S. P. and K. D. W. are thankful to UA for DOCPRO financial support. ; |
Approved |
Most recent IF: 2.851; 2015 IF: 2.138 |
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Call Number |
UA @ admin @ c:irua:126494 |
Serial |
5666 |
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Permanent link to this record |
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Author |
Bezjak, J.; Abakumov, A.M.; Recnik, A.; Krzmanc, M.M.; Jancar, B.; Suvorov, D. |
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Title |
The local structure and composition of Ba4Nb2O9-based oxycarbonates |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
183 |
Issue |
8 |
Pages |
1823-1828 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
X-ray powder-diffraction(XRD),high-resolutiontransmissionelectronmicroscopy(HRTEM),electron diffraction(ED),infraredspectroscopy(IR),thermogravimetry(TG)andmassspectroscopy(MS)were performedtoinvestigatethecompositionandthecrystalstructureoftetra-bariumdi-niobate(V) Ba4Nb2O9. TheTG,MSandIRstudiesrevealedthatthecompoundisahydratedoxycarbonate.Assuming that thecarbonatestoichiometricallyreplacesoxygen,thecompositionofthelow-temperature a-modification,obtainedbyslowcoolingfrom1100 1C, correspondstoBa4Nb2O8.8(CO3)0.2 0.1H2O, while thequenchedhigh-temperature g-modificationhastheBa4Nb2O8.42(CO3)0.58 0.38H2O composi- tion. The a-phase hasacompositeincommensuratelymodulatedstructureconsistingoftwomutually interacting[Ba]N and the[(Nb,)O3]N subsystems.Thecompositemodulatedcrystalstructureofthe a-phase canbedescribedwiththelatticeparameters a¼10.2688(1) A˚ , c¼2.82426(8) A˚ , q¼0.66774(2)c* and asuperspacegroup R3m(00g)0s. TheHRTEManalysisdemonstratesthenanoscale twinningofthetrigonaldomainsparalleltothe{100}crystallographicplanes.Thetwinningintroduces a one-dimensionaldisorderintothe[(Nb,)O3]N subsystem,whichresultsinanaverage P62c crystal structureofthe a-phase. Possibleplacesforthecarbonategroupinthestructurearediscussedusinga comparisonwithotherhexagonalperovskite-basedoxycarbonates. |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000280620300013 |
Publication Date |
2010-06-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-4596; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.299 |
Times cited |
10 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.299; 2010 IF: 2.261 |
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Call Number |
UA @ lucian @ c:irua:84046 |
Serial |
1830 |
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Permanent link to this record |
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Author |
Albrecht, W.; Deng, T.-S.; Goris, B.; van Huis, M.A.; Bals, S.; van Blaaderen, A. |
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Title |
Single Particle Deformation and Analysis of Silica-Coated Gold Nanorods before and after Femtosecond Laser Pulse Excitation |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
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Volume |
16 |
Issue |
16 |
Pages |
1818-1825 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
We performed single particle deformation experiments on silica-coated gold nanorods under femtosecond (fs) illumination. Changes in the particle shape were analyzed by electron microscopy and associated changes in the plasmon resonance by electron energy loss spectroscopy. Silica-coated rods were found to be more stable compared to uncoated rods but could still be deformed via an intermediate bullet-like shape for silica shell thicknesses of 14 nm. Changes in the size ratio of the rods after fs-illumination resulted in blue-shifting of the longitudinal plasmon resonances. Two-dimensional spatial mapping of the plasmon resonances revealed that the flat side of the bullet-like particles showed a less pronounced longitudinal plasmonic electric field enhancement. These findings were confirmed by finite-difference time-domain (FDTD) simulations. Furthermore, at higher laser fluences size reduction of the particles was found as well as for particles that were not completely deformed yet. |
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Address |
Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University , Princetonplein 5, 3584 CC Utrecht, The Netherlands |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
English |
Wos |
000371946300045 |
Publication Date |
2016-02-12 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1530-6984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
12.712 |
Times cited |
55 |
Open Access |
OpenAccess |
|
|
Notes |
We thank Dr. Nicolas Gauquelin for his assistance during the EELS measurements and Thomas Atlantzis for the high-resolution images of the gold clusters. We furthermore thank Ernest van der Wee for the simulation of the confocal point spread functions. The authors acknowledge financial support from the European Research Council under the European Unions Seventh Framework Programme (FP-2007-2013)/ERC Advanced Grant Agreement #291667 HierarSACol and the Foundation of Fundamental Research on Matter (FOM), which is part of the Netherlands Organisation for Scientific Research (NWO). The authors furthermore acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS). The authors also appreciate financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI). This work was supported by the Flemish Fund for Scientific Research (FWO Vlaanderen) through a postdoctoral research grant to B.G.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 12.712 |
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|
Call Number |
c:irua:131924 c:irua:131924 |
Serial |
4016 |
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Permanent link to this record |
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Author |
Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Antipov, E.V. |
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Title |
Chemistry and structure of anion-deficient perovskites with translational interfaces |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Journal of the American Ceramic Society |
Abbreviated Journal |
J Am Ceram Soc |
|
|
Volume |
91 |
Issue |
6 |
Pages |
1807-1813 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Columbus, Ohio |
Editor |
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Language |
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Wos |
000256410700010 |
Publication Date |
2008-04-29 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0002-7820;1551-2916; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.841 |
Times cited |
39 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.841; 2008 IF: 2.101 |
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|
Call Number |
UA @ lucian @ c:irua:70088 |
Serial |
355 |
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Permanent link to this record |
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Author |
Schutyser, W.; Van den Bosch, S.; Dijkmans, J.; Turner, S.; Meledina, M.; Van Tendeloo, G.; Debecker, D.P.; Sels, B.F. |
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Title |
Selective nickel-catalyzed conversion of model and lignin-derived phenolic compounds to cyclohexanone-based polymer building blocks |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
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|
Volume |
8 |
Issue |
8 |
Pages |
1805-1818 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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|
Abstract |
Valorization of lignin is essential for the economics of future lignocellulosic biorefineries. Lignin is converted into novel polymer building blocks through four steps: catalytic hydroprocessing of softwood to form 4-alkylguaiacols, their conversion into 4-alkylcyclohexanols, followed by dehydrogenation to form cyclohexanones, and Baeyer-Villiger oxidation to give caprolactones. The formation of alkylated cyclohexanols is one of the most difficult steps in the series. A liquid-phase process in the presence of nickel on CeO2 or ZrO2 catalysts is demonstrated herein to give the highest cyclohexanol yields. The catalytic reaction with 4-alkylguaiacols follows two parallel pathways with comparable rates: 1) ring hydrogenation with the formation of the corresponding alkylated 2-methoxycyclohexanol, and 2) demethoxylation to form 4-alkylphenol. Although subsequent phenol to cyclohexanol conversion is fast, the rate is limited for the removal of the methoxy group from 2-methoxycyclohexanol. Overall, this last reaction is the rate-limiting step and requires a sufficient temperature (> 250 degrees C) to overcome the energy barrier. Substrate reactivity (with respect to the type of alkyl chain) and details of the catalyst properties (nickel loading and nickel particle size) on the reaction rates are reported in detail for the Ni/CeO2 catalyst. The best Ni/CeO2 catalyst reaches 4-alkylcyclohexanol yields over 80 %, is even able to convert real softwood-derived guaiacol mixtures and can be reused in subsequent experiments. A proof of principle of the projected cascade conversion of lignocellulose feedstock entirely into caprolactone is demonstrated by using Cu/ZrO2 for the dehydrogenation step to produce the resultant cyclohexanones (approximate to 80%) and tin-containing beta zeolite to form 4-alkyl-e-caprolactones in high yields, according to a Baeyer-Villiger-type oxidation with H2O2. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000355220300020 |
Publication Date |
2015-04-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
1864-5631; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
7.226 |
Times cited |
71 |
Open Access |
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|
Notes |
Fwo |
Approved |
Most recent IF: 7.226; 2015 IF: 7.657 |
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Call Number |
c:irua:126406 |
Serial |
2967 |
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Permanent link to this record |
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Author |
Alvarez-Martin, A.; Wilcop, M.; Anderson, R.; Wendt, D.; Barden, R.; Kavich, G.M. |
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Title |
Investigation of volatile organic compounds in museum storage areas |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Air Quality Atmosphere And Health |
Abbreviated Journal |
Air Qual Atmos Hlth |
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Volume |
14 |
Issue |
11 |
Pages |
1797-1809 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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|
Abstract |
This study investigates the complex mixture of volatile organic compounds (VOCs) released by and accumulated within a collection of historic medicinal, pharmaceutical, and cosmetic artifacts housed at the National Museum of American History (Smithsonian Institution). In recent years, staff have become concerned, both for the safety of the objects and for personnel working in the collection, about strong unremediated odors accumulating within several storage cabinets. Museum staff also wondered if non-odorous off-gassing might need remediation. Solid-phase microextraction combined with gas chromatography–mass spectrometry analysis (SPME–GC–MS) was used to identify VOCs present in the storage room housing the collection. Over 160 compounds were detected and identified overall. Among these, 49 appeared to be directly related to ingredients used in the manufacture of many collection items. The results of the study suggest that SPME–GC–MS can be a strong tool for the rapid screening of multicomponent museum collections exhibiting off-gassing problems, before the pursuit of other more tedious analytical approaches. Additionally, the study reveals valuable insight into the characteristic volatile emission of historic medicinal, pharmaceutical, and cosmetic artifacts, increasing understanding of, and decision-making for, similar collections of objects. Eventually, it is hoped that this information can be used to inform mitigation strategies for the capture and reduction of VOCs in collections storage areas. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000659058300001 |
Publication Date |
2021-06-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1873-9318 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.184 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.184 |
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Call Number |
UA @ admin @ c:irua:181923 |
Serial |
8129 |
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Permanent link to this record |
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Author |
Colla, M.-S.; Wang, B.; Idrissi, H.; Schryvers, D.; Raskin, J.-P.; Pardoen, T. |
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Title |
High strength-ductility of thin nanocrystalline palladium films with nanoscale twins : on-chip testing and grain aggregate model |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
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Volume |
60 |
Issue |
4 |
Pages |
1795-1806 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The mechanical behaviour of thin nanocrystalline palladium films with an ∼30 nm in plane grain size has been characterized on chip under uniaxial tension. The films exhibit a large strain hardening capacity and a significant increase in the strength with decreasing thickness. Transmission electron microscopy has revealed the presence of a moderate density of growth nanotwins interacting with dislocations. A semi-analytical grain aggregate model is proposed to investigate the impact of different contributions to the flow behaviour, involving the effect of twins, of grain size and of the presence of a thin surface layer. This model provides guidelines to optimizing the strength/ductility ratio of the films. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000301989500035 |
Publication Date |
2012-02-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
1359-6454; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.301 |
Times cited |
38 |
Open Access |
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|
Notes |
Iap |
Approved |
Most recent IF: 5.301; 2012 IF: 3.941 |
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Call Number |
UA @ lucian @ c:irua:94213 |
Serial |
1465 |
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Permanent link to this record |
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Author |
Dixon, E.; Hadermann, J.; Hayward, M.A. |
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Title |
The synthesis and complex anion-vacancy ordered structure of La0.33Sr0.67MnO2.42 |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
184 |
Issue |
7 |
Pages |
1791-1799 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The low-temperature topotactic reduction of La0.33Sr0.67MnO3 with NaH results in the formation of La0.33Sr0.67MnO2.42. A combination of neutron powder and electron diffraction data show that La0.33Sr0.67MnO2.42 adopts a novel anion-vacancy ordered structure with a 6-layer OOTOOT' stacking sequence of the octahedral and tetrahedral layers (Pcmb, a=5.5804(1) Å, b=23.4104(7) Å, c=11.2441(3) Å). A significant concentration of anion vacancies at the anion site, which links neighbouring octahedral layers means that only 25% of the octahedral manganese coordination sites actually have 6-fold MnO6 coordination, the remainder being MnO5 square-based pyramidal sites. The chains of cooperatively twisted apex-linked MnO4 tetrahedra adopt an ordered -LRLR- arrangement within each tetrahedral layer. This is the first published example of a fully refined structure of this type which exhibits such intralayer ordering of the twisted tetrahedral chains. The rationale behind the contrasting structures of La0.33Sr0.67MnO2.42 and other previously reported reduced La1−xSrxMnO3−y phases is discussed. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000292718500032 |
Publication Date |
2011-05-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-4596; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.299 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.299; 2011 IF: 2.159 |
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Call Number |
UA @ lucian @ c:irua:90885 |
Serial |
3600 |
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Permanent link to this record |
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Author |
Malo, S.; Lepoittevin, C.; Pérez, O.; Hébert, S.; Van Tendeloo, G.; Hervieu, M. |
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Title |
Incommensurate crystallographic shear structures and magnetic properties of the cation deficient perovskite (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29 |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
22 |
Issue |
5 |
Pages |
1788-1797 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The origin of the incommensurability in the crystallographic shear (CS) structure of the ferri-Manganite (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29, related to the cation deficient perovskite, has been determined by careful analysis of the boundaries between the two variants constituting the phasoid. High Resolution Electron Microscopy/HAADF-STEM images allow the structural mechanisms to be understood through the presence of structural units common to both phases, responsible of the incommensurate character observed in the electron diffraction patterns. The structural analysis allows for identifying different types of CS phases in the Pb−Sr−Fe(Mn)−O diagram and shows that the stabilization of the six-sided tunnels requires a higher A/B cationic ratio. A description of these phases is proposed through simple structural building units (SBU), based on chains of octahedra bordered by two pyramids. The (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29 CS compound exhibits a strong antiferromagnetic and insulating behavior, similar to the Fe-2201 and terrace ferrites but differs by the presence of a hysteresis, with a small coercive field. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000274929000025 |
Publication Date |
2010-01-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
6 |
Open Access |
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|
Notes |
Esteem 026019 |
Approved |
Most recent IF: 9.466; 2010 IF: 6.400 |
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Call Number |
UA @ lucian @ c:irua:81800 |
Serial |
1593 |
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Permanent link to this record |
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Author |
Chang, K.; Xia, J.B.; Wu, H.B.; Feng, S.L.; Peeters, F.M. |
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Title |
Quantum-confined magneto-Stark effect in diluted magnetic semiconductor coupled quantum wells |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
80 |
Issue |
10 |
Pages |
1788-1790 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The magneto-Stark effect in a diluted magnetic semiconductor (DMS) coupled quantum well (CQW) induced by an in-plane magnetic field is investigate theoretically. Unlike the usual electro-Stark effects, in a DMS CQW the Lorenz force leads to a spatially separated exciton. The in-plane magnetic field can shift the ground state of the magnetoexciton from a zero in-plane center of mass (CM)/momentum to a finite CM momentum, and render the ground state of magnetoexciton stable against radiative recombination due to momentum conservation. (C) 2002 American Institute of Physics. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000174181800036 |
Publication Date |
2002-07-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.411; 2002 IF: 4.207 |
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Call Number |
UA @ lucian @ c:irua:94932 |
Serial |
2775 |
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Permanent link to this record |
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Author |
Xu, W.; Peeters, F.M.; Devreese, J.T. |
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Title |
The hot electron distribution of two-dimensional electrons in a polar semiconductor at zero temperature |
Type |
A3 Journal article |
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Year |
1991 |
Publication |
Journal of physics: C: condensed matter |
Abbreviated Journal |
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Volume |
3 |
Issue |
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Pages |
1783-1791 |
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Keywords |
A3 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
A1991FE35700009 |
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
1 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:948 |
Serial |
1490 |
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Permanent link to this record |
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Author |
Cao, S.; Nishida, M.; Schryvers, D. |
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Title |
Quantitative three-dimensional analysis of Ni4Ti3 precipitate morphology and distribution in polycrystalline Ni-Ti |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
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Volume |
59 |
Issue |
4 |
Pages |
1780-1789 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The three-dimensional size, morphology and distribution of Ni4Ti3 precipitates in a Ni50.8Ti49.2 polycrystalline shape memory alloy with a heterogeneous microstructure have been investigated using a focused ion beam/scanning electron microscopy slice-and-view procedure. The mean volume, central plane diameter, thickness, aspect ratio and sphericity of the precipitates in the grain interior as well as near to the grain boundary were measured and/or calculated. The morphology of the precipitates was quantified by determining the equivalent ellipsoids with the same moments of inertia and classified according to the Zingg scheme. Also, the pair distribution functions describing the three-dimensional distributions were obtained from the coordinates of the precipitate mass centres. Based on this new data it is suggested that the existence of the heterogeneous microstructure could be due to a very small concentration gradient in the grains of the homogenized material and that the resulting multistage martensitic transformation originates in strain effects related to the size of the precipitates and scale differences of the available B2 matrix in between the precipitates. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000287265100045 |
Publication Date |
2010-12-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
|
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ISSN |
1359-6454; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
5.301 |
Times cited |
34 |
Open Access |
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|
Notes |
Fwo |
Approved |
Most recent IF: 5.301; 2011 IF: 3.755 |
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Call Number |
UA @ lucian @ c:irua:85533 |
Serial |
2766 |
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Permanent link to this record |
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Author |
Teodorescu, V.S.; Mihailescu, I.N.; Gyorgy, E.; Luches, A.; Martino, M.; Nistor, L.C.; van Landuyt, J.; Hermann, J. |
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Title |
The study of a crater forming on the surface of a Ti target submitted to multipulse excimer laser irradiation under low pressure N2 |
Type |
A1 Journal article |
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Year |
1996 |
Publication |
Journal of modern optics |
Abbreviated Journal |
J Mod Optic |
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Volume |
43 |
Issue |
9 |
Pages |
1773-1784 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A Ti target was submitted to laser ablation in low ambient pressure N-2. Electron microscopy examination of the cross-section of the crater zone forming on the Ti target, and XPS analyses, indicate that there is a small effect on the nitridation processes taking place on and in the vicinity of the target. The studies show a zone influenced by the multipulse laser treatment extending beneath the crater down to a depth of the same order of magnitude as the crater depth (i.e. similar to 10 mu m). In this zone, TiN could be identified as being present only in traces, while the whole zone exhibited a layer structure with differences in morphology and mechanical wear. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
A1996VF31900002 |
Publication Date |
2007-07-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0950-0340;1362-3044; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
1.008 |
Times cited |
11 |
Open Access |
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Notes |
|
Approved |
PHYSICS, APPLIED 47/145 Q2 # |
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Call Number |
UA @ lucian @ c:irua:95238 |
Serial |
3594 |
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Permanent link to this record |
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Author |
Van Alphen, S.; Vermeiren, V.; Butterworth, T.; van den Bekerom, D.C.M.; van Rooij, G.J.; Bogaerts, A. |
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Title |
Power Pulsing To Maximize Vibrational Excitation Efficiency in N2Microwave Plasma: A Combined Experimental and Computational Study |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
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Volume |
124 |
Issue |
3 |
Pages |
1765-1779 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma is gaining increasing interest for N2 fixation, being a flexible, electricity-driven alternative for the current conventional fossil fuel-based N2 fixation processes. As the vibrational-induced dissociation of N2 is found to be an energy-efficient pathway to acquire atomic N for the fixation processes, plasmas that are in vibrational nonequilibrium seem promising for this application. However, an important challenge in using nonequilibrium plasmas lies in preventing vibrational−translational (VT) relaxation processes, in which vibrational energy crucial for N2 dissociation is lost to gas heating. We present here both experimental and modeling results for the vibrational and gas temperature in a microsecond-pulsed microwave (MW) N2 plasma, showing how power pulsing can suppress this unfavorable VT relaxation and achieve a maximal vibrational nonequilibrium. By means of our kinetic model, we demonstrate that pulsed plasmas take advantage of the long time scale on which VT processes occur, yielding a very pronounced nonequilibrium over the whole N2 vibrational ladder. Additionally, the effect of pulse parameters like the pulse frequency and pulse width are investigated, demonstrating that the advantage of pulsing to inhibit VT relaxation diminishes for high pulse frequencies (around 7000 kHz) and long power pulses (above 400 μs). Nevertheless, all regimes studied here demonstrate a clear vibrational nonequilibrium while only requiring a limited power-on time, and thus, we may conclude that a pulsed plasma seems very interesting for energyefficient vibrational excitation. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Wos |
000509438600001 |
Publication Date |
2020-01-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.7 |
Times cited |
|
Open Access |
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Notes |
Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; This research was supported by the Excellence of Science FWO-FNRS project (FWO Grant ID GoF9618n, EOS ID 30505023). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: 3.7; 2020 IF: 4.536 |
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Call Number |
PLASMANT @ plasmant @c:irua:165586 |
Serial |
5443 |
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Permanent link to this record |
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Author |
Van Dyck, P.M.; Török, S.B.; Van Grieken, R.E. |
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Title |
Enhancement effect in X-ray fluorescence analysis of environmental samples of medium thickness |
Type |
A1 Journal article |
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Year |
1986 |
Publication |
Analytical chemistry |
Abbreviated Journal |
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Volume |
58 |
Issue |
8 |
Pages |
1761-1766 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Place of Publication |
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Wos |
A1986C955500040 |
Publication Date |
2005-03-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:116522 |
Serial |
7915 |
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Permanent link to this record |
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Author |
Abreu, Y.; Cruz, C.M.; van Espen, P.; Piñera, I.; Leyva, A.; Cabal, A.E. |
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Title |
Multiscale modeling of radiation damage and annealing in Si samples implanted with 57-Mn radioactive ions |
Type |
P1 Proceeding |
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Year |
2011 |
Publication |
IEEE conference record
T2 – IEEE Nuclear Science Symposium/Medical Imaging Conference (NSS/MIC)/18th, International Workshop on Room-Temperature Semiconductor X-Ray and, Gamma-Ray Detectors, OCT 23-29, 2011, Valencia, SPAIN |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1754-1756 |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The radiation damage created in silicon materials by Mn-57 -> Fe-57 ion implantation has been studied and characterized by Mossbauer spectroscopy showing four main lines, assigned to: substitutional, interstitial and damaged configuration sites of the implanted ions. Nevertheless, the Mossbauer spectrum of Fe-57 in this materials remains with some ambiguous identification regarding the implantation configurations before and after annealing, specially the damaged configurations and its evolution. In the present work some possible implantation configurations are suggested and evaluated using a multiscale approach by Monte Carlo ion transport and electronic structure calculations within DFT. The proposed implantation environments were evaluated in terms of stability and the Fe-57 hyperfine parameters were calculated to establish the connections with the experimental observations. Good agreement was found between the experimental and the calculated hyperfine parameters for some configurations; suggesting which ones could be the implantation environments before and after sample annealing. |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000304755601202 |
Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
978-1-4673-0120-6 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:113073 |
Serial |
8289 |
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Permanent link to this record |
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Author |
Jardali, F.; Van Alphen, S.; Creel, J.; Ahmadi Eshtehardi, H.; Axelsson, M.; Ingels, R.; Snyders, R.; Bogaerts, A. |
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Title |
NOxproduction in a rotating gliding arc plasma: potential avenue for sustainable nitrogen fixation |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Green Chemistry |
Abbreviated Journal |
Green Chem |
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Volume |
23 |
Issue |
4 |
Pages |
1748-1757 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The fast growing world population demands food to survive, and nitrogen-based fertilizers are essential to ensure sufficient food production. Today, fertilizers are mainly produced from non-sustainable fossil fuels<italic>via</italic>the Haber–Bosch process, leading to serious environmental problems. We propose here a novel rotating gliding arc plasma, operating in air, for direct NO<sub>x</sub>production, which can yield high nitrogen content organic fertilizers without pollution associated with ammonia emission. We explored the efficiency of NO<sub>x</sub>production in a wide range of feed gas ratios, and for two arc modes: rotating and steady. When the arc is in steady mode, record-value NO<sub>x</sub>concentrations up to 5.5% are achieved which are 1.7 times higher than the maximum concentration obtained by the rotating arc mode, and with an energy consumption of 2.5 MJ mol<sup>−1</sup>(or<italic>ca.</italic>50 kW h kN<sup>−1</sup>);<italic>i.e.</italic>the lowest value so far achieved by atmospheric pressure plasma reactors. Computer modelling, using a combination of five different complementary approaches, provides a comprehensive picture of NO<sub>x</sub>formation in both arc modes; in particular, the higher NO<sub>x</sub>production in the steady arc mode is due to the combined thermal and vibrationally-promoted Zeldovich mechanisms. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000629630600021 |
Publication Date |
2021-01-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9262 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.125 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, GoF9618n 30505023 ; H2020 European Research Council, 810182 ; This research was supported by a Bilateral Project with N2 Applied, the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023) and by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement no 810182 – SCOPE ERC Synergy project). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. We also thank J.-L. Liu for the RGA design, L. Van ‘t dack and K. Leyssens for MS calibration and practical support, and K. Van ‘t Veer for the fruitful discussions on plasma kinetic modelling and for calculating the electron energy losses. |
Approved |
Most recent IF: 9.125 |
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Call Number |
PLASMANT @ plasmant @c:irua:176022 |
Serial |
6678 |
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Permanent link to this record |
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Author |
Faust, V.; Gruber, W.; Ganigue, R.; Vlaeminck, S.E.; Udert, K.M. |
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Title |
Nitrous oxide emissions and carbon footprint of decentralized urine fertilizer production by nitrification and distillation |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
ACS ES&T engineering |
Abbreviated Journal |
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Volume |
2 |
Issue |
9 |
Pages |
1745-1755 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Combining partial nitrification, granular activated carbon (GAC) filtration, and distillation is a well-studied approach to convert urine into a fertilizer. To evaluate the environmental sustainability of a technology, the operational carbon footprint and therefore nitrous oxide (N2O) emissions should be known, but N2O emissions from urine nitrification have not been assessed yet. Therefore, N2O emissions of a decentralized urine nitrification reactor were monitored for 1 month. During nitrification, 0.4-1.2% of the total nitrogen load was emitted as N2O-N with an average N2O emission factor (EFN2O) of 0.7%. Additional N2O was produced during anoxic storage between nitrification and GAC filtration with an estimated EFN2O of 0.8%, resulting in an EFN2O of 1.5% for the treatment chain. N2O emissions during nitrification can be mitigated by 60% by avoiding low dissolved oxygen or anoxic conditions and nitrite concentrations above 5 mg-N L-1. Minimizing the hydraulic retention time between nitrification and GAC filtration can reduce N2O formation during intermediate storage by 100%. Overall, the N2O emissions accounted for 45% of the operational carbon footprint of 14 kg-CO2,equiv kg-N-1 for urine fertilizer production. Using electricity from renewable sources and applying the proposed N2O mitigation strategies could potentially lower the carbon footprint by 85%. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000835412700001 |
Publication Date |
2022-07-29 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189599 |
Serial |
7182 |
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Permanent link to this record |
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Author |
Horzum, S.; Torun, E.; Serin, T.; Peeters, F.M. |
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Title |
Structural, electronic and optical properties of Cu-doped ZnO : experimental and theoretical investigation |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Philosophical magazine |
Abbreviated Journal |
Philos Mag |
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Volume |
96 |
Issue |
96 |
Pages |
1743-1756 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Experiments are supplemented with ab initio density functional theory (DFT) calculations in order to investigate how the structural, electronic and optical properties of zinc oxide (ZnO) thin films are modified upon Cu doping. Changes in characteristic properties of doped thin films, that are deposited on a glass substrate by sol-gel dip coating technique, are monitored using X-ray diffraction (XRD) and UV measurements. Our ab initio calculations show that the electronic structure of ZnO can be well described by DFT+U/G(0)W(0) method and we find that Cu atom substitutional doping in ZnO is the most favourable case. Our XRD measurements reveal that the crystallite size of the films decrease with increasing Cu doping. Moreover, we determine the optical constants such as refractive index, extinction coefficient, optical dielectric function and optical energy band gap values of the films by means of UV-Vis transmittance spectra. The optical band gap of ZnO the thin film linearly decreases from 3.25 to 3.20 eV at 5% doping. In addition, our calculations reveal that the electronic defect states that stem from Cu atoms are not optically active and the optical band gap is determined by the ZnO band edges. Experimentally observed structural and optical results are in good agreement with our theoretical results. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000376076500002 |
Publication Date |
2016-05-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1478-6435 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.505 |
Times cited |
29 |
Open Access |
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Notes |
; Theoretical part of this work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. Experimental part of this work was supported by Ankara University BAP under Project Number [14B0443001]. ; |
Approved |
Most recent IF: 1.505 |
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Call Number |
UA @ lucian @ c:irua:134161 |
Serial |
4254 |
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Permanent link to this record |
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Author |
Filippov, S.K.; Sedlacek, O.; Bogomolova, A.; Vetrik, M.; Jirak, D.; Kovar, J.; Kucka, J.; Bals, S.; Turner, S.; Stepanek, P.; Hruby, M.; |
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Title |
Glycogen as a biodegradable construction nanomaterial for in vivo use |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Macromolecular bioscience |
Abbreviated Journal |
Macromol Biosci |
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Volume |
12 |
Issue |
12 |
Pages |
1731-1738 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
It is demonstrated that glycogen as a biodegradable and inexpensive material coming from renewable resources can be used as a carrier for the construction of in vivo imaging nanoagents. The model system considered is composed of glycogen modified with gadolinium and fluorescent labels. Systematic studies of properties of these nanocarriers by a variety of physical methods and results of in vivo tests of biodegradability are reported. This represents, to the authors' best knowledge, the first such use of glycogen. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000312242600016 |
Publication Date |
2012-11-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1616-5187; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.238 |
Times cited |
22 |
Open Access |
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Notes |
262348 ESMI; FWO; Hercules |
Approved |
Most recent IF: 3.238; 2012 IF: 3.742 |
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Call Number |
UA @ lucian @ c:irua:105286 |
Serial |
1354 |
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Permanent link to this record |
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Author |
Attri, P.; Kaushik, N.K.; Kaushik, N.; Hammerschmid, D.; Privat-Maldonado, A.; De Backer, J.; Shiratani, M.; Choi, E.H.; Bogaerts, A. |
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Title |
Plasma treatment causes structural modifications in lysozyme, and increases cytotoxicity towards cancer cells |
Type |
A1 Journal Article |
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Year |
2021 |
Publication |
International Journal Of Biological Macromolecules |
Abbreviated Journal |
Int J Biol Macromol |
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Volume |
182 |
Issue |
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Pages |
1724-1736 |
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Keywords |
A1 Journal Article; Lysozyme; Cold atmospheric plasma; Cancer cell death; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
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Abstract |
Bacterial and mammalian proteins, such as lysozyme, are gaining increasing interest as anticancer drugs. This study aims to modify the lysozyme structure using cold atmospheric plasma to boost its cancer cell killing effect. We investigated the structure at acidic and neutral pH using various experimental techniques (circular dichroism, fluorescence, and mass spectrometry) and molecular dynamics simulations. The controlled structural modification of lysozyme at neutral pH enhances its activity, while the activity was lost at acidic pH at the same treatment conditions. Indeed, a larger number of amino acids were oxidized at acidic pH after plasma treatment, which results in a greater distortion of the lysozyme structure, whereas only limited structural changes were observed in lysozyme after plasma treatment at neutral pH. We found that the plasma-treated lysozyme significantly induced apoptosis to the cancer cells. Our results reveal that plasma-treated lysozyme could have potential as a new cancer cell killing drug. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000675794700005 |
Publication Date |
2021-05-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0141-8130 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.671 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
Japan Society for the Promotion of Science; We gratefully acknowledge the European H2020 Marie SkłodowskaCurie Actions Individual Fellowship “Anticancer-PAM” within Horizon2020 (grant number 743546). This work was also supported by JSPS-KAKENHI grant number 20K14454. NK thanks to National Research Foundation of Korea under Ministry of Science and ICT (NRF2021R1C1C1013875) of Korean Government. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. |
Approved |
Most recent IF: 3.671 |
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Call Number |
PLASMANT @ plasmant @c:irua:178813 |
Serial |
6792 |
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Permanent link to this record |
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Author |
Eshtehardi, H.A.; van 't Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A. |
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Title |
Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
ACS Sustainable Chemistry and Engineering |
Abbreviated Journal |
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Volume |
11 |
Issue |
5 |
Pages |
1720-1733 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma catalysis is emerging for plasma-assisted gas conversion processes. However, the underlying mechanisms of plasma catalysis are poorly understood. In this work, we present a 1D heterogeneous catalysis model with axial dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in the process stream in the axial direction), for plasma-catalytic NO production from N2/O2 mixtures. We investigate the concentration and reaction rates of each species formed as a function of time and position across the catalyst, in order to determine the underlying mechanisms. To obtain insights into how the performance of the process can be further improved, we also study how changes in the postplasma gas flow composition entering the catalyst bed and in the operation conditions of the catalytic stage affect the performance of NO production. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000926412800001 |
Publication Date |
2023-02-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2168-0485 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
8.4 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; Fonds De La Recherche Scientifique FNRS, 30505023 GoF9618n ; H2020 European Research Council, 810182 ; |
Approved |
Most recent IF: 8.4; 2023 IF: 5.951 |
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Call Number |
PLASMANT @ plasmant @c:irua:195377 |
Serial |
7241 |
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Permanent link to this record |