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Author |
Maes, D.; Van Dael, M.; Vanheusden, B.; Goovaerts, L.; Reumerman, P.; Luzardo, N.M.; Van Passel, S. |
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Title |
Assessment of the sustainability guidelines of EU Renewable Energy Directive : the case of biorefineries |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication  |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
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Volume |
88 |
Issue |
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Pages |
61-70 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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Abstract |
Sustainability guidelines can help to safeguard the sustainable use of biological materials. When these guidelines are legally prescribed, their influence on the economic viability of bioenergy, biofuel and bioliquid projects is increased substantially, through their impact on national subsidy regimes and international trade. One of the key examples is the European directive 2009/28/EC, or the Renewable Energy Directive (RED), and the related COM/2010/11 that integrate guidelines for calculating greenhouse gas impact for various bioenergy pathways. This paper looks further into the sustainability results when influenced by principal decisions that are legally open for debate. Therefore, a concise review is conducted of the legal state-of-the-art on whether a product is waste or not. The review pinpoints uncertainty, leading to four potential legal scenarios. The sustainability of a complex biorefinery is analysed for each scenario. The results show (i) a high sensitivity to the principal decisions on the nature of waste materials in the scenarios, and (ii) to the definition of boundaries between the processes. More detailed rules for the application of the RED guidelines are needed, and should be complemented with methods specifically targeting all relevant sustainability aspects, thereby enhancing the overall understanding of the sustainability of the process. (C) 2014 Elsevier Ltd. All rights reserved. |
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Wos |
000347771100007 |
Publication Date |
2014-04-30 |
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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 |
0959-6526 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.715 |
Times cited |
25 |
Open Access |
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Notes |
; We would like to thank the editor and the anonymous referees for their helpful suggestions and insightful comments that have significantly improved the paper. The 'Energy Conversion Parks' (ECP) project is funded as Project nr IVA-VLANED-2.39 by the Interreg IVa-Flanders-Netherlands program from the European Fund for Regional Development that stimulates cross border projects. Also the Dutch Ministry of Economic Affairs, the Flemish Government, the Provinces of Noord-Brabant (NL), Zeeland (NL), Limburg (BE) and the partners (VITO, Avans University of Applied Sciences, Wageningen University and Research, Hasselt University, and Zeeland University of Applied Sciences) themselves are co-financing the project. Finally, we would like to express our gratitude towards the organization of the eighth Conference on Sustainable Development of Energy, Water and Environment systems in Dubrovnik (Croatia) for giving us the opportunity to present and thereby fine-tune our work. ; |
Approved |
Most recent IF: 5.715; 2015 IF: 3.844 |
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| |
Call Number |
UA @ admin @ c:irua:127538 |
Serial |
6157 |
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Author |
Tschulkow, M.; Compernolle, T.; Van den Bosch, S.; Van Aelst, J.; Storms, I.; Van Dael, M.; Van den Bossche, G.; Sels, B.; Van Passel, S. |
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Title |
Integrated techno-economic assessment of a biorefinery process: The high-end valorization of the lignocellulosic fraction in wood streams |
Type |
A1 Journal Article |
| |
Year |
2020 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
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| |
Volume |
266 |
Issue |
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Pages |
122022 |
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Keywords |
A1 Journal Article; Engineering Management (ENM) ; |
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Abstract |
A new lignin-first biorefinery with a reductive catalytic fractionation process, which targets the valorization of the lignin and the carbohydrate fraction into higher value end-products, is currently being designed. To identify the various R&D drivers for projects with a low technology readiness level (TRL), we developed an integrated techno-economic assessment (TEA) that directly integrates the results of lab studies with economic costs and benefits. Furthermore, different linkages are made to upstream wood availability and downstream demand to understand its fit into existing wood value chains. By making the relations across the wood value chain explicit within the integrated TEA, we find that the scale of the plant, the feedstock-specific output quantities, and output prices highly determine the economic feasibility. Furthermore, this detailed analysis reveals the importance of assessing different types of feedstock. If only virgin wood is available as feedstock, minimum capacity levels between 190 and 234 kilotons per year are needed for the investment to be profitable. Waste wood proves to be the most profitable feedstock with an NPV of M€ 59 and an IRR of 26%. Using only waste wood as feedstock makes the investment profitable at a lower capacity level of 80 kilotons per year and economic shocks can be absorbed. Based on these results we show that an integrated and detailed TEA is indispensable to define future development paths for early-stage, innovative technologies. |
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Wos |
000573461000008 |
Publication Date |
2020-05-07 |
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Series Editor |
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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 |
0959-6526 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.1 |
Times cited |
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Open Access |
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Notes |
This project has received funding from the Research FoundationFlanders (FWO)-SBO BIOWOOD project. Tine Compernolle thanksthe (FWO) for funding her postdoctoral mandate with Grantnumber 12M7417N. G. V.d.B. acknowledges funding from FISCH-ICON project MAIA. J.V.A. and S.V.d.B acknowledge Flanders Inno-vation&Entrepreneurship (VLAIO) for their innovation mandate. |
Approved |
Most recent IF: 11.1; 2020 IF: 5.715 |
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Call Number |
ENM @ enm @c:irua:170069 |
Serial |
6383 |
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| Permanent link to this record |
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Author |
Larrain, M.; Van Passel, S.; Thomassen, G.; Kresovic, U.; Alderweireldt, N.; Moerman, E.; Billen, P. |
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Title |
Economic performance of pyrolysis of mixed plastic waste: Open-loop versus closed-loop recycling |
Type |
A1 Journal Article |
| |
Year |
2020 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
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| |
Volume |
|
Issue |
|
Pages |
122442 |
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Keywords |
A1 Journal Article; Engineering Management (ENM) ; |
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Abstract |
In recent decades new recycling technologies for mixed plastic waste have emerged. In pyrolysis, the polymer chains are thermally broken (pyrolyzed) to obtain hydrocarbon materials of different molecular weights such as naphtha, oil or waxes, whose yields can be controlled by varying the reaction parameters. Naphtha represents a closed-loop recycling process as it is a feedstock for (poly)olefins; while the co-production of waxes, having several applications in e.g. the construction industry, exemplifies an open-loop recycling process. This paper compares the economic performance of the pyrolysis of mixed polyolefin waste in a closed-loop and open-loop scheme, including a probabilistic approach to the most important variables. From an economic perspective, open-loop pyrolysis as presented outperforms closed-loop recycling, due to the high prices of wax. However, the results present a high dispersion caused by the volatility of the prices of crude oil and its derivates. Considering the current oil price projections, our case study analysis showed that for open-loop recycling there is a future probability of almost a 98 % of observing positive results and around 57 % of probability in the case of closed-loop recycling, under the assumptions made. Yet, in a future scenario where decarbonized electricity would decrease oil prices, the probability of a positive outcome reduces to 57 % for the open-loop case and to less than 8 % in the case of closed-loop recycling. To make these pathways attractive to investors, the nameplate capacity should be at least 70 kt/year for open-loop recycling and 115 kt/year for closed-loop recycling. A 120 kt/year plant should operate minimally at 80 % of its capacity for open-loop recycling, while closed-loop recycling would demand running close to maximum capacity. Security of feedstock supply therefore is required. |
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Wos |
000579071300078 |
Publication Date |
2020-05-28 |
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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 |
0959-6526 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.1 |
Times cited |
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Open Access |
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Notes |
This work was supported by the VLAIO Catalisti-ICON project MATTER (Mechanical and Thermochemical Recycling of mixed plastic waste; project HBC.2018.0262). |
Approved |
Most recent IF: 11.1; 2020 IF: 5.715 |
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Call Number |
ENM @ enm @c:irua:170005 |
Serial |
6385 |
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| Permanent link to this record |
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Author |
Larrain, M.; Van Passel, S.; Thomassen, G.; Kresovic, U.; Alderweireldt, N.; Moerman, E.; Billen, P. |
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| |
Title |
Economic performance of pyrolysis of mixed plastic waste: Open-loop versus closed-loop recycling |
Type |
A1 Journal Article |
| |
Year |
2020 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
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| |
Volume |
|
Issue |
|
Pages |
122442 |
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Keywords |
A1 Journal Article; Engineering Management (ENM) ; |
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Abstract |
In recent decades new recycling technologies for mixed plastic waste have emerged. In pyrolysis, the polymer chains are thermally broken (pyrolyzed) to obtain hydrocarbon materials of different molecular weights such as naphtha, oil or waxes, whose yields can be controlled by varying the reaction parameters. Naphtha represents a closed-loop recycling process as it is a feedstock for (poly)olefins; while the co-production of waxes, having several applications in e.g. the construction industry, exemplifies an open-loop recycling process. This paper compares the economic performance of the pyrolysis of mixed polyolefin waste in a closed-loop and open-loop scheme, including a probabilistic approach to the most important variables. From an economic perspective, open-loop pyrolysis as presented outperforms closed-loop recycling, due to the high prices of wax. However, the results present a high dispersion caused by the volatility of the prices of crude oil and its derivates. Considering the current oil price projections, our case study analysis showed that for open-loop recycling there is a future probability of almost a 98 % of observing positive results and around 57 % of probability in the case of closed-loop recycling, under the assumptions made. Yet, in a future scenario where decarbonized electricity would decrease oil prices, the probability of a positive outcome reduces to 57 % for the open-loop case and to less than 8 % in the case of closed-loop recycling. To make these pathways attractive to investors, the nameplate capacity should be at least 70 kt/year for open-loop recycling and 115 kt/year for closed-loop recycling. A 120 kt/year plant should operate minimally at 80 % of its capacity for open-loop recycling, while closed-loop recycling would demand running close to maximum capacity. Security of feedstock supply therefore is required. |
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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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Wos |
000579071300078 |
Publication Date |
2020-05-28 |
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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 |
0959-6526 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.1 |
Times cited |
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Open Access |
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Notes |
This work was supported by the VLAIO Catalisti-ICON project MATTER (Mechanical and Thermochemical Recycling of mixed plastic waste; project HBC.2018.0262). |
Approved |
Most recent IF: 11.1; 2020 IF: 5.715 |
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Call Number |
ENM @ enm @c:irua:170005 |
Serial |
6386 |
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Author |
Sui, Y.; Jiang, Y.; Moretti, M.; Vlaeminck, S.E. |
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Title |
Harvesting time and biomass composition affect the economics of microalgae production |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
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Volume |
259 |
Issue |
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Pages |
120782-10 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Engineering Management (ENM) |
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Abstract |
Cost simulations provide a strong tool to render the production of microalgae economically viable. This study evaluated the unexplored effect of harvesting time and the corresponding microalgal biomass composition on the overall production cost, under both continuous light and light/dark regime using techno-economic analysis (TEA). At the same time, the TEA gives evidence that a novel product “proteinaceous salt” from Dunaliella microalgae production is a promising high-value product for commercialization with profitability. The optimum production scenario is to employ natural light/dark regime and harvest microalgal biomass around late exponential phase, obtaining the minimum production cost of 11 €/kg and a profitable minimum selling price (MSP) of 14.4 €/kg for the “proteinaceous salt”. For further optimization of the production, increasing microalgal biomass concentration is the most effective way to reduce the total production cost and increase the profits of microalgae products. |
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Wos |
000530695500009 |
Publication Date |
2020-02-29 |
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Series Editor |
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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 |
0959-6526 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.1 |
Times cited |
5 |
Open Access |
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Notes |
; This work was supported by the China Scholarship Council (File No. 201507650015) and the MIP i-Cleantech Flanders (Milieu-innovatieplatform; Environment innovation platform) project Microbial Nutrients on Demand (MicroNOD). ; |
Approved |
Most recent IF: 11.1; 2020 IF: 5.715 |
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Call Number |
UA @ admin @ c:irua:166802 |
Serial |
6531 |
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Author |
Einhäupl, P.; Van Acker, K.; Peremans, H.; Van Passel, S. |
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Title |
The conceptualization of societal impacts of landfill mining : a system dynamics approach |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
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Volume |
296 |
Issue |
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Pages |
126351 |
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Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
Landfill mining (LFM) refers to the excavation and processing of formerly buried waste streams. It offers significant environmental and societal benefits through the mitigation of greenhouse gas emissions or the reduction of long-term waste management costs. LFM’s profitability, however, is still in question and public investment support might be necessary to fully exploit its potential. To enable decision-makers to identify the best solutions for a landfill site, societal impacts of LFM still have to be investigated. Throughout relevant literature, societal impacts of LFM projects have only selectively been studied and it remains unclear if and which benefits justify policy interventions. This paper firstly provides a comprehensive conceptualization of the societal impact of an LFM project and dives into the underlying societal context of this emerging industry. It disentangles formerly identified burdens and benefits by applying a system dynamics approach to LFM research. Based on this approach, four causal loop diagrams are presented showing how LFM is embedded into its societal context, analyzing the composition of the net societal impact of an LFM project, the mechanisms influencing LFM’s public acceptance, and the dynamics of the market acceptance of LFM products. Key variables and leverage points have been identified, such as (i) technology choices influencing avoided impacts from the mitigations of primary resource consumption, since many societal impacts are closely related to environmental impacts, (ii) a timely and broad stakeholder involvement to prevent project opposition, and (iii) the after-use of the mined landfill, generating a major part of the local and regional societal benefits but also creating potential conflicts between stakeholder interests. Key intradimensional trade-offs and potential conflicts were identified in (i) spatial and (ii) temporal risk distribution, (iii) conflicting societal goals of the after-use such as job creations and recreation, as well as (iv) material and energy recuperation. These findings provide important insights for LFM decision-makers and can help to implement this emerging industry in a sustainable way. |
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Wos |
000672225100099 |
Publication Date |
2021-02-17 |
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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 |
0959-6526 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
5.715 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 5.715 |
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Call Number |
UA @ admin @ c:irua:178793 |
Serial |
6918 |
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Author |
Buyle, M.; Maes, B.; Van Passel, S.; Boonen, K.; Vercalsteren, A.; Audenaert, A. |
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Title |
Ex-ante LCA of emerging carbon steel slag treatment technologies : fast forwarding lab observations to industrial-scale production |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
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Volume |
313 |
Issue |
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Pages |
127921 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Energy and Materials in Infrastructure and Buildings (EMIB) |
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Abstract |
The valuable properties of carbon steel slag are currently underexploited. To date, research mainly focusses on valorising a single property of the slag. In this study an ex-ante life cycle assessment (LCA) was applied to evaluate the environmental profile of a novel technological pathway aimed at the extraction of chromium from carbon steel slag in combination with high quality valorisation of the residual matrix material. A comparison with current practice was made, not only by calculating the environmental impact of the lab scale observations, but more importantly by estimating the impact on an industrial scale. Practical guidance on ex-ante LCA is limited, so this study contributes by incorporating simulations on thermodynamic behaviour, complemented with empirical calculation rules and including information derived from similar technologies to perform the upscaling. These principles of ex-ante LCA were applied to the lab results of two consecutive research iterations. Substantial improvements of the environmental profile were observed: ex-ante results turned out to be a factor 20 lower compared to the results from the lab observations after the first iteration and had decreased by a factor 2 compared to the small pilot scale of the second iteration. All upscaled results are better than those from the worst case reference scenario (landfill). Based on the experience gained after this iterative research cycle, a practical recommendation is that at a low technology readiness level using more simple calculation rules in combination with a flowsheet based on elementary design principles for processes at an industrial scale is a more efficient way of modelling compared to a fully-fledged process design from the start. |
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Wos |
000693416000002 |
Publication Date |
2021-06-14 |
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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 |
0959-6526 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
5.715 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 5.715 |
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Call Number |
UA @ admin @ c:irua:179313 |
Serial |
6922 |
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Author |
Azadi, H.; Moghaddam, S.M.; Burkart, S.; Mahmoudi, H.; Van Passel, S.; Kurban, A.; Lopez-Carr, D. |
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Title |
Rethinking resilient agriculture : from Climate-Smart Agriculture to Vulnerable-Smart Agriculture |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
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Volume |
319 |
Issue |
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Pages |
128602 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
Climate-Smart Agriculture (CSA) is seeking to overcome the food security problem and develop rural livelihoods while minimizing negative impacts on the environment. However, when such synergies exist, the situation of small-scale farmers is often overlooked, and they are unable to implement new practices and technologies. Therefore, the main aim of this study is to improve CSA by adding the neglected but very important element “small-scale farmer”, and introduce Vulnerable-Smart Agriculture (VSA) as a complete version of CSA. VSA indicates, based on the results of this study, that none of the decisions made by policymakers can be realistic and functional as long as the voice of the farmers influenced by their decisions is not heard. Therefore, to identify different levels for possible interventions and develop VSA monitoring indicators, a new conceptual framework needs to be developed. This study proposed such a framework consisting of five elements: prediction of critical incidents by farmers, measuring the consequences of incidents, identifying farmers' coping strategies, assessing farmers' livelihood capital when facing an incident, and adapting to climate incidents. The primary focus of this study is on farmers' learning and operational preparation to deal with tension and disasters at farm level. Understanding the implications of threats from climate change and the recognizing of coping mechanisms will contribute to an increase in understanding sustainable management. |
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Place of Publication |
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Wos |
000728681500005 |
Publication Date |
2021-08-10 |
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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 |
0959-6526 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.715 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 5.715 |
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Call Number |
UA @ admin @ c:irua:184869 |
Serial |
6942 |
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Author |
Sauve, G.; Esguerra, J.L.; Laner, D.; Johansson, J.; Svensson, N.; Van Passel, S.; Van Acker, K. |
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Title |
Integrated early-stage environmental and economic assessment of emerging technologies and its applicability to the case of plasma gasification |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of cleaner production |
Abbreviated Journal |
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Volume |
382 |
Issue |
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Pages |
134684-14 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
Economic and environmental impact assessments are increasingly being adopted in the design and implementation of emerging systems. However, their emerging nature leads to several assessment challenges that need to be addressed to ensure the validity and usefulness of results in understanding their potential performance and supporting their development. There is the need to (i) account for spatial and temporal variability to allow a broader perspective at an early stage of development; (ii) handle uncertainties to systematically identify the critical factors and their interrelations that drive the results; (iii) integrate environmental and economic results to support sound decision-making based on two sustainability aspects. To address these assessment challenges, this study presents an alternative approach with the following corresponding features: (i) multiple scenario development to conduct an exploratory assessment of the systems under varying conditions and settings, (ii) global sensitivity analysis to identify the main critical factors and their interrelations, and (iii) trade-off and ecoefficiency analysis to integrate the economic and environmental results. The integrated approach is applied to a case study on plasma gasification for solid waste management. The results of the study highlight how the approach allows the identification of the dynamic relations between project settings and surrounding conditions. For example, the choice of gasifying agent largely depends on the background energy system, which dictates the impacts of the process energy requirement and the savings from the substituted energy of the syngas output. Based on these findings, the usefulness and validity of the proposed integrated approach are discussed in terms of how the key assessment challenges are addressed and how it can provide guidance for the development of emerging systems. |
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Wos |
000906664200001 |
Publication Date |
2022-10-22 |
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| |
ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
11.1 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 11.1; 2023 IF: 5.715 |
|
| |
Call Number |
UA @ admin @ c:irua:193464 |
Serial |
7361 |
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| Permanent link to this record |
| |
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| |
|
Author |
Buyle, M.; Audenaert, A.; Brusselaers, J.; Van Passel, S. |
|
| |
Title |
Rebound effects following technological advancement? The case of a global shock in ferrochrome supply |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of cleaner production |
Abbreviated Journal |
|
|
| |
Volume |
391 |
Issue |
|
Pages |
136264-11 |
|
| |
Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Energy and Materials in Infrastructure and Buildings; Engineering Management (ENM) |
|
| |
Abstract |
Novel recycling technologies aim at increasing material efficiency by turning former waste products into valuable reclaimed resources. A key question is whether such technologies really reduce primary resource consumption or instead stimulate aggregated market demand. In this study the consequences of a positive shock in ferrochrome supply to the global stainless steel value chain is assessed quantitatively. This new source might be unlocked by technology under development for the recovery of chromium from carbon and stainless steel slags. The aim of this study is to quantitatively assess the income and substitution effects of reclaimed ferrochrome along a part of the stainless steel value chain. The impact of the supply shock is analysed by means of a vector autoregression (VAR), a dynamic model where lagged values of all included variables estimate current state of the system. Additionally, the VAR model is extended to a structural vector autoregression (SVAR) to account for contemporary effects as well. Both the VAR and SVAR model indicate that additional ferrochrome supply leads to an increase in aggregated supply of stainless steel, in combination with a substitution effect between ferrochrome and nickel. The extended SVAR model additionally highlights that contemporaneous effects do play an important role as well to capture the direct rebound effect in the ferrochrome market when working with quarterly data. In other words, an additional supply of reclaimed ferrochrome triggers a complex combination of interactions and consequences, yet it does not necessarily lead to a lower overall material consumption. The main contributions of this paper are the assessment of direct rebound effects of supplying reclaimed metals along the value chain and the demonstration that quantifying the effects of circular strategies is feasible. |
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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 |
|
Wos |
000930165300001 |
Publication Date |
2023-01-30 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
11.1 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 11.1; 2023 IF: 5.715 |
|
| |
Call Number |
UA @ admin @ c:irua:193569 |
Serial |
7365 |
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| Permanent link to this record |
| |
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| |
|
Author |
Nelen, D.; Manshoven, S.; Peeters, J.R.; Vanegas, P.; D'Haese, N.; Vrancken, K. |
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| |
Title |
A multidimensional indicator set to assess the benefits of WEEE material recycling |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Journal of cleaner production |
Abbreviated Journal |
|
|
| |
Volume |
83 |
Issue |
|
Pages |
305-316 |
|
| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
|
| |
Abstract |
EU strategies for waste management have long recognized the key role of recycling to move towards sustainable consumption and production. This resulted in a range of regulatory measures, among which the Waste Electrical and Electronic Equipment (WEEE) directive, which sets weight-based targets for recovery, preparation for re-use and recycling. The increasing strategic relevance of the supply of raw materials has, however, spurred a more integrated approach towards resource efficiency. In addition to the prevention of disposal, recycling practices are now also meant to contribute to sustainable materials management by pursuing (i) a higher degree of material cycle closure, (ii) an improved recovery of strategically relevant materials, and (iii) the avoidance of environmental burdens associated with the extraction and refining of primary raw materials. In response to this evolution, this paper reports about the development of an indicator set that allows to quantitatively demonstrate these recycling benefits, hence going further than the weight-based objectives employed in the WEEE directive. The indicators can be calculated for WEEE recycling processes for which information is available on both input and output fractions. It offers a comprehensive framework that aims to support decision making processes on product design, to identify opportunities for the optimization of WEEE End-of-Life scenarios, and to assess the achieved (or expected) results of implemented (or planned) recycling optimization strategies. The paper is illustrated by a case study on the recycling of LCD televisions. (C) 2014 Elsevier Ltd. All rights reserved. |
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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 |
000343781500030 |
Publication Date |
2014-07-11 |
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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 |
|
|
| |
ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:121160 |
Serial |
7393 |
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| Permanent link to this record |
| |
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| |
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Author |
Beames, A.; Broekx, S.; Heijungs, R.; Lookman, R.; Boonen, K.; Van Geert, Y.; Dendoncker, K.; Seuntjens, P. |
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| |
Title |
Accounting for land-use efficiency and temporal variations between brownfield remediation alternatives in life-cycle assessment |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of cleaner production |
Abbreviated Journal |
|
|
| |
Volume |
101 |
Issue |
|
Pages |
109-117 |
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| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
The latest life-cycle assessment methods account for land use, due to the production, use and disposal of products and services, in terms of ecosystem damage. The process of brownfield remediation converts otherwise idle urban space into productive space. The value to ecosystems in this context is of course limited since the brownfield site remains urban. When evaluating brownfield remediation technologies, the availability of space on-site is dependent on the duration of time required by the remediation technology to reach the remediation target. Remediation technology alternatives tend to vary largely in terms of duration. Comparative life-cycle assessments of remediation technologies, to date, present the large variations between alternatives in terms of remediation duration but do not translate this into an impact or parameter. The restored subsurface zone is often defined as a functional unit, when in fact the surface area is the resource restored by the remediation service. The economic benefits of making land resources available are particularly important considerations in the context of brownfield remediation. The research proposes an innovative impact assessment approach that allows land to be considered as a finite resource. The method is applied in a comparative life-cycle assessment of two potential remediation scenarios for an idle brownfield in the Brussels region of Belgium. The results show that there is a trade-off between greenhouse gas emissions and land availability and that both are largely dependent on the efficiency of the contaminant extraction mechanism. The results also raise the question as to whether the economic valuation of land, like precious metals and fossil fuels, provides an accurate reflection of the true value of the resource. Considering land as a resource at the midpoint level is also relevant in other urban contexts where competition exists between different land-uses, where urban sprawl is detrimental to undeveloped areas and where urban intensification is a policy objective. (C) 2015 Elsevier Ltd. All rights reserved. |
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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 |
|
Wos |
000356988200010 |
Publication Date |
2015-04-05 |
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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 |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:127010 |
Serial |
7412 |
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| Permanent link to this record |
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| |
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Author |
Vingerhoets, R.; Spiller, M.; De Backer, J.; Adriaens, A.; Vlaeminck, S.E.; Meers, E. |
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| |
Title |
Detailed nitrogen and phosphorus flow analysis, nutrient use efficiency and circularity in the agri-food system of a livestock-intensive region |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of cleaner production |
Abbreviated Journal |
|
|
| |
Volume |
410 |
Issue |
|
Pages |
137278-13 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
|
| |
Abstract |
The agri-food value chain is a major cause of nitrogen (N) and phosphorus (P) emissions and associated environmental and health impacts. The EU's farm-to-fork strategy (F2F) demands an agri-food value chain approach to reduce nutrient emissions by 50% and fertilizer use by 20%. Substance flow analysis (SFA) is a method that can be applied to study complex systems such as the agri-food chain. A review of 60 SFA studies shows that they often lack detail by not sufficiently distinguishing between nodes, products and types of emissions. The present study aims to assess the added value of detail in SFAs and to illustrate that valuable indicators can be derived from detailed assessments. This aim will be attained by presenting a highly-detailed SFA for the livestock-intensive region of Flanders, Belgium. The SFA distinguishes 40 nodes and 1827 flows that are classified into eight different categories (e.g. by-products, point source emissions) following life cycle methods. Eight novel indicators were calculated, including indicators that assess the N and P recovery potential. Flanders has a low overall nutrient use efficiency (11% N, 18% P). About 55% of the N and 56% of the P embedded in recoverable streams are reused providing 35% and 37% of the total N and P input. Optimized nutrient recycling could replace 45% of N and 48% of P of the external nutrient input, exceeding the target set by the F2F strategy. Detailed accounting for N and P flows and nodes leads to the identification of more recoverable streams and larger N and P flows. More detailed flow accounting is a prerequisite for the quantification of technological intervention options. Future research should focus on including concentration and quality as a parameter in SFAs. |
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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 |
|
Wos |
000991013600001 |
Publication Date |
2023-04-21 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
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Edition |
|
|
| |
ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
11.1 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 11.1; 2023 IF: 5.715 |
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| |
Call Number |
UA @ admin @ c:irua:196227 |
Serial |
7770 |
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| Permanent link to this record |
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| |
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Author |
Peng, L.; Liu, Y.; Sun, J.; Wang, D.; Dai, X.; Ni, B.-J. |
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| |
Title |
Enhancing immobilization of arsenic in groundwater: A model-based evaluation |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of cleaner production |
Abbreviated Journal |
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| |
Volume |
166 |
Issue |
|
Pages |
449-457 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
The mobilization of arsenic (As) in aquatic environment (groundwater) can cause severe environmental and healthy issues. To develop remediation strategies, we proposed a comprehensive mathematical model to describe the As removal in a arsenite (As (III)) oxidizing and ferrous iron (Fe (II)) oxidizing denitrifying granular biofilm system. In the model framework, the growth-linked microbial oxidation of As (III) and Fe (II) was coupled to chemolithotrophic denitrification of one-step reduction of nitrate to nitrogen gas. Meanwhile, the precipitation of ferric iron (Fe (III)) and adsorption of arsenate (As (V)) onto the biogenic Fe (III) (hydr)oxides were also considered. The model was calibrated by comparing the model predictions against experimental data from batch experiments. The validity of the model was further demonstrated through testing against long-term experimental results from five independent bioreactors with different reactor configurations and operational conditions. Modeling results revealed that the granule size would exert a limited impact on arsenic and iron removal. Nevertheless, their removal efficiencies increased rapidly with the increase of hydraulic retention time (HRT) from 1 h to 12 h, but became independent of HRT as it further increased. The established model framework enables interpretation of a range of experimental observations on As and Fe removal and helps to identify the optimal conditions for enhanced arsenic remediation. (C) 2017 Elsevier Ltd. All rights reserved. |
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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 |
000412607100046 |
Publication Date |
2017-08-09 |
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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 |
0959-6526 |
ISBN |
|
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:146635 |
Serial |
7919 |
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| Permanent link to this record |
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| |
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Author |
Kim, E.; Spooren, J.; Broos, K.; Nielsen, P.; Horckmans, L.; Geurts, R.; Vrancken, K.C.; Quaghebeur, M. |
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| |
Title |
Valorization of stainless steel slag by selective chromium recovery and subsequent carbonation of the matrix material |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Journal of cleaner production |
Abbreviated Journal |
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| |
Volume |
117 |
Issue |
|
Pages |
221-228 |
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| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
This study focuses on the recycling of stainless steel (SS) slags containing about 1.2 wt% of chromium (Cr). The selective recovery of Cr from SS slag by a hydrometallurgical method (alkaline pressure leaching) was investigated. Leaching experiments were carried out based on 2(4-1) factorial design of experiment (DOE) with the following parameters: NaOH concentration, temperature, leaching time, and mechanical activation (MA). Results show that temperature and MA are the most influencing factors for an enhanced Cr leaching. The maximum Cr leaching was 46% at 1 M NaOH, 240 degrees C, 6 h, MA 30 min, while the matrix material was dissolved only to a limited extent (Al 2.88%, Si 0.12%, Ca 0.05%). After Cr leaching followed by alkali washing, a carbonation treatment is proposed to stabilize the remaining Cr in the matrix material and make the subsequent recycling of the matrix material as a construction material possible. (C) 2016 Elsevier Ltd. All rights reserved. |
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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 |
000371552200025 |
Publication Date |
2016-01-23 |
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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 |
0959-6526 |
ISBN |
|
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 |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:132432 |
Serial |
8731 |
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| Permanent link to this record |
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| |
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Author |
Borms, L.; Van Opstal, W.; Brusselaers, J.; Van Passel, S. |
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| |
Title |
The working future : an analysis of skills needed by circular startups |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of cleaner production |
Abbreviated Journal |
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| |
Volume |
409 |
Issue |
|
Pages |
137261-137269 |
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| |
Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
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| |
Abstract |
Aside from potential environmental benefits, the implementation of circular economy principles in businesses can have merits for the labour market. The current unemployment in several regions of Europe and the qualitative mismatch between supply and demand could be countered by reskilling the labour force to adjust supply and demand to one another for increased reuse, repair, or recycling, among others. This study uses interviews to increase the focus of the research question and uses survey data to perform an ordered probit regression analysis to sketch the current and future landscape of startups’ skills in Flanders (Belgium), and to analyse the relationship between circular strategies and different types of skills. The results show that design to lower material use increases the need for transport and logistics skills, digitalisation increases the need for R&D and IT skills, and the recuperation of waste requires technical knowledge. Furthermore, gender, age, and experience of the entrepreneur influence the needed skills. The paper probed for policy recommendations for the uptake of circular strategies and recommendations for future research. The most asked policy measures by the respondents are innovation and collaboration support (subsidies), fiscal measures that support circular goods and services, and public procurement for circular goods and services. This research is of relevance for several stakeholders, such as startup ecosystems, sector organisations, policy makers in innovation policy and labour market policy, and educational institutions. |
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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 |
000988763400001 |
Publication Date |
2023-04-21 |
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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 |
|
Series Issue |
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Edition |
|
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| |
ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
11.1 |
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 11.1; 2023 IF: 5.715 |
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| |
Call Number |
UA @ admin @ c:irua:195706 |
Serial |
9246 |
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| Permanent link to this record |
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Author |
Godoi, A.F.L.; Vilegas, W.; Godoi, R.H.M.; Van Vaeck, L.; Van Grieken, R. |
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| |
Title |
Application of low-pressure gas chromatography-io-trap mass spectrometry to the analysis of the eseential oil of Turnera diffusa (Ward.) Urb |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Journal of chromatography: A: bibliography section |
Abbreviated Journal |
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| |
Volume |
1027 |
Issue |
|
Pages |
127-130 |
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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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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 |
000188498900018 |
Publication Date |
2003-10-14 |
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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 |
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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 |
|
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:43529 |
Serial |
7480 |
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| Permanent link to this record |
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Author |
Godoi, A.F.L.; Ravindra, K.; Godoi, R.H.M.; Andrade, S.J.; Santiago-Silva, M.; Van Vaeck, L.; Van Grieken, R. |
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| |
Title |
Fast chromatographic determination of polycyclic aromatic hydrocarbons in aerosol samples from sugar cane burning |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Journal of chromatography: A: bibliography section |
Abbreviated Journal |
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| |
Volume |
1027 |
Issue |
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Pages |
49-53 |
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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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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 |
000188498900008 |
Publication Date |
2003-11-15 |
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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 |
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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:43528 |
Serial |
7959 |
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| Permanent link to this record |
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| |
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Author |
Ravindra, K.; Godoi, A.F.L.; Bencs, L.; Van Grieken, R. |
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| |
Title |
Low-pressure gas chromatography-ion trap mass spectrometry for the fast determination of polycyclic aromatic hydrocarbons in air samples |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Journal of chromatography: A: bibliography section |
Abbreviated Journal |
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| |
Volume |
1114 |
Issue |
2 |
Pages |
278-281 |
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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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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 |
000237542500016 |
Publication Date |
2006-04-05 |
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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 |
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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:57705 |
Serial |
8188 |
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| Permanent link to this record |
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Author |
Joos, P.E.; Godoi, A.F.L.; de Jong, R.; de Zeeuw, J.; Van Grieken, R. |
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| |
Title |
Trace analysis of benzene, toluene, ethylbenzene and xylene isomers in environmental samples by low-pressure gas chromatography-ion trap mass spectrometry |
Type |
A1 Journal article |
| |
Year |
2003 |
Publication |
Journal of chromatography: A: bibliography section |
Abbreviated Journal |
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| |
Volume |
985 |
Issue |
|
Pages |
191-196 |
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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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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 |
000180580400024 |
Publication Date |
2003-02-04 |
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Series Editor |
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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:40612 |
Serial |
8685 |
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| Permanent link to this record |
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Author |
Godoi, A.F.L.; Van Vaeck, L.; Van Grieken, R. |
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Title |
Use of solid-phase microextraction for the detection of acetic acid by ion-trap gas chromatography-mass spectrometry and application to indoor levels in museums |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
Journal of chromatography: A: bibliography section |
Abbreviated Journal |
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| |
Volume |
1067 |
Issue |
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Pages |
331-336 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
000227925800032 |
Publication Date |
2005-01-26 |
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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:51590 |
Serial |
8723 |
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| Permanent link to this record |
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Author |
Mao, D.; Lookman, R.; van de Weghe, H.; Vanermen, G.; de Brucker, N.; Diels, L. |
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Title |
Aqueous solubility calculation for petroleum mixtures in soil using comprehensive two-dimensional gas chromatography analysis data |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Journal of chromatography : A |
Abbreviated Journal |
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| |
Volume |
1216 |
Issue |
14 |
Pages |
2873-2880 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
An assessment of aqueous solubility (leaching potential) of soil contaminations with petroleum hydrocarbons (TPH) is important in the context of the evaluation of (migration) risks and soil/groundwater remediation. Field measurements using monitoring wells often overestimate real TPH concentrations in case of presence of pure oil in the screened interval of the well. This paper presents a method to calculate TPH equilibrium concentrations in groundwater using soil analysis by high-performance liquid chromatography followed by comprehensive two-dimensional gas chromatography (HPLCGCXGC). The oil in the soil sample is divided into 79 defined hydrocarbon fractions on two GCXGC color plots. To each of these fractions a representative water solubility is assigned. Overall equilibrium water solubility of the non-aqueous phase liquid (NAPL) present in the sample and the water phase's chemical composition (in terms of the 79 fractions defined) are then calculated using Raoult's law. The calculation method was validated using soil spiked with 13 different TPH mixtures and 1 field-contaminated soil. Measured water solubilities using a column recirculation equilibration experiment agreed well to calculated equilibrium concentrations and water phase TPH composition. |
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Wos |
000264730900020 |
Publication Date |
2008-08-27 |
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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 |
0021-9673 |
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:76414 |
Serial |
7492 |
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| Permanent link to this record |
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Author |
Mao, D.; Lookman, R.; van de Weghe, H.; Vanermen, G.; de Brucker, N.; Diels, L. |
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Title |
Detailed analysis of petroleum hydrocarbon attenuation in biopiles by high-performance liquid chromatography followed by comprehensive two-dimensional gas chromatography |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Journal of chromatography : A |
Abbreviated Journal |
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| |
Volume |
1216 |
Issue |
9 |
Pages |
1524-1527 |
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| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
Enhanced bioremediation of petroleum hydrocarbons in two biopiles was quantified by high-performance liquid chromatography (HPLC) followed by comprehensive two-dimensional gas chromatography (GCXGC). The attenuation of 34 defined hydrocarbon classes was calculated by HPLCGCXGC analysis of representative biopile samples at start-up and after 18 weeks of biopile operation. In general, a-cyclic alkanes were most efficiently removed from the biopiles, followed by monoaromatic hydrocarbons. Cycloalkanes and polycyclic aromatic hydrocarbons (PAHs) were more resistant to degradation. A-cyclic biomarkers farnesane, trimethyl-C13, norpristane, pristane and phytane dropped to only about 10% of their initial concentrations. On the other hand, C29C31 hopane concentrations remained almost unaltered after 18 weeks of biopile operation, confirming their resistance to biodegradation. They are thus reliable indicators to estimate attenuation potential of petroleum hydrocarbons in biopile processed soils. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000263610500035 |
Publication Date |
2009-01-07 |
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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 |
0021-9673 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:76320 |
Serial |
7769 |
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| Permanent link to this record |
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Author |
Dirtu, A.C.; Ravindra, K.; Roosens, L.; Van Grieken, R.; Neels, H.; Blust, R.; Covaci, A. |
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Title |
Fast analysis of decabrominated diphenyl ether using low-pressure gas chromatography.electron-capture negative ionization mass spectrometry |
Type |
A1 Journal article |
| |
Year |
2008 |
Publication |
Journal of chromatography : A |
Abbreviated Journal |
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| |
Volume |
1186 |
Issue |
|
Pages |
295-301 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre |
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Abstract |
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Place of Publication |
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Wos |
000254884700024 |
Publication Date |
2007-07-23 |
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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 |
0021-9673 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:67546 |
Serial |
7957 |
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| Permanent link to this record |
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Author |
Lemberge, P.; Deraedt, I.; Janssens, K.; van Espen, P. |
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Title |
Quantitative analysis of 16-17th century archaeological glass vessels using PLS regression of EPXMA and μ-XRF data |
Type |
A1 Journal article |
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Year |
2000 |
Publication |
Journal of chemometrics |
Abbreviated Journal |
J Chemometr |
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Volume |
14 |
Issue |
|
Pages |
751-763 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) |
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Abstract |
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Corporate Author |
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Place of Publication |
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Wos |
000090065100026 |
Publication Date |
2002-09-10 |
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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 |
0886-9383 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.884 |
Times cited |
|
Open Access |
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Notes |
|
Approved |
Most recent IF: 1.884; 2000 IF: 2.081 |
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Call Number |
UA @ admin @ c:irua:32405 |
Serial |
5793 |
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| Permanent link to this record |
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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 |
| |
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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Corporate Author |
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Thesis |
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Place of Publication |
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Wos |
000305092400002 |
Publication Date |
2012-05-16 |
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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 |
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Series Issue |
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Edition |
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ISSN |
1549-9618;1549-9626; |
ISBN |
|
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 |
|
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 |
Bal, K.M.; Neyts, E.C. |
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Title |
Merging Metadynamics into Hyperdynamics: Accelerated Molecular Simulations Reaching Time Scales from Microseconds to Seconds |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Journal of chemical theory and computation |
Abbreviated Journal |
J Chem Theory Comput |
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Volume |
11 |
Issue |
11 |
Pages |
4545-4554 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The hyperdynamics method is a powerful tool to simulate slow processes at the atomic level. However, the construction of an optimal hyperdynamics potential is a task that is far from trivial. Here, we propose a generally applicable implementation of the hyperdynamics algorithm, borrowing two concepts from metadynamics. First, the use of a collective variable (CV) to represent the accelerated dynamics gives the method a very large flexibility and simplicity. Second, a metadynamics procedure can be used to construct a suitable history-dependent bias potential on-the-fly, effectively turning the algorithm into a self-learning accelerated molecular dynamics method. This collective variable-driven hyperdynamics (CVHD) method has a modular design: both the local system properties on which the bias is based, as well as the characteristics of the biasing method itself, can be chosen to match the needs of the considered system. As a result, system-specific details are abstracted from the biasing algorithm itself, making it extremely versatile and transparent. The method is tested on three model systems: diffusion on the Cu(001) surface and nickel-catalyzed methane decomposition, as examples of reactive processes with a bond-length-based CV, and the folding of a long polymer-like chain, using a set of dihedral angles as a CV. Boost factors up to 109, corresponding to a time scale of seconds, could be obtained while still accurately reproducing correct dynamics. |
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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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Language |
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Wos |
000362921700004 |
Publication Date |
2015-09-02 |
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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 |
1549-9618 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.245 |
Times cited |
41 |
Open Access |
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Notes |
K.M.B. is funded as Ph.D. fellow (aspirant) of the FWOFlanders (Fund for Scientific Research-Flanders), Grant No. 11 V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), funded by the Hercules Foundation and the Flemish Government−Department EWI. |
Approved |
Most recent IF: 5.245; 2015 IF: 5.498 |
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Call Number |
c:irua:128183 |
Serial |
3991 |
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| Permanent link to this record |
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Author |
Tchakoua, T.; Gerrits, N.; Smeets, E.W.F.; Kroes, G.-J. |
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Title |
SBH17 : benchmark database of barrier heights for dissociative chemisorption on transition metal surfaces |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of chemical theory and computation |
Abbreviated Journal |
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Volume |
19 |
Issue |
1 |
Pages |
245-270 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Accurate barriers for rate controlling elementary reactions on metal surfaces are key to understanding, controlling, and predicting the rate of heterogeneously catalyzed processes. While barrier heights for gas phase reactions have been extensively benchmarked, dissociative chemisorption barriers for the reactions of molecules on metal surfaces have received much less attention. The first database called SBH10 and containing 10 entries was recently constructed based on the specific reaction parameter approach to density functional theory (SRP-DFT) and experimental results. We have now constructed a new and improved database (SBH17) containing 17 entries based on SRP-DFT and experiments. For this new SBH17 benchmark study, we have tested three algorithms (high, medium, and light) for calculating barrier heights for dissociative chemisorption on metals, which we have named for the amount of computational effort involved in their use. We test the performance of 14 density functionals at the GGA, GGA+vdW-DF, and meta-GGA rungs. Our results show that, in contrast with the previous SBH10 study where the BEEF-vdW-DF2 functional seemed to be most accurate, the workhorse functional PBE and the MS2 density functional are the most accurate of the GGA and meta-GGA functionals tested. Of the GGA+vdW functionals tested, the SRP32-vdW-DF1 functional is the most accurate. Additionally, we found that the medium algorithm is accurate enough for assessing the performance of the density functionals tested, while it avoids geometry optimizations of minimum barrier geometries for each density functional tested. The medium algorithm does require metal lattice constants and interlayer distances that are optimized separately for each functional. While these are avoided in the light algorithm, this algorithm is found not to give a reliable description of functional performance. The combination of relative ease of use and demonstrated reliability of the medium algorithm will likely pave the way for incorporation of the SBH17 database in larger databases used for testing new density functionals and electronic structure methods. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000903286100001 |
Publication Date |
2022-12-19 |
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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 |
1549-9618 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.5 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 5.5; 2023 IF: 5.245 |
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Call Number |
UA @ admin @ c:irua:193426 |
Serial |
7274 |
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| Permanent link to this record |
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Author |
Bal, K.M. |
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Title |
Reweighted Jarzynski sampling : acceleration of rare events and free energy calculation with a bias potential learned from nonequilibrium work |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Chemical Theory And Computation |
Abbreviated Journal |
J Chem Theory Comput |
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| |
Volume |
17 |
Issue |
11 |
Pages |
6766-6774 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We introduce a simple enhanced sampling approach for the calculation of free energy differences and barriers along a one-dimensional reaction coordinate. First, a small number of short nonequilibrium simulations are carried out along the reaction coordinate, and the Jarzynski equality is used to learn an approximate free energy surface from the nonequilibrium work distribution. This free energy estimate is represented in a compact form as an artificial neural network and used as an external bias potential to accelerate rare events in a subsequent molecular dynamics simulation. The final free energy estimate is then obtained by reweighting the equilibrium probability distribution of the reaction coordinate sampled under the influence of the external bias. We apply our reweighted Jarzynski sampling recipe to four processes of varying scales and complexities.spanning chemical reaction in the gas phase, pair association in solution, and droplet nucleation in supersaturated vapor. In all cases, we find reweighted Jarzynski sampling to be a very efficient strategy, resulting in rapid convergence of the free energy to high precision. |
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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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Language |
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Wos |
000718183600008 |
Publication Date |
2021-10-29 |
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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 |
1549-9618 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.245 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 5.245 |
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Call Number |
UA @ admin @ c:irua:184676 |
Serial |
8479 |
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| Permanent link to this record |
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Author |
Sóti, V.; Jacquet, N.; Apers, S.; Richel, A.; Lenaerts, S.; Cornet, I. |
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Title |
Monitoring the laccase reaction of vanillin and poplar hydrolysate |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Journal of chemical technology and biotechnology |
Abbreviated Journal |
J Chem Technol Biot |
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Volume |
91 |
Issue |
6 |
Pages |
1914-1922 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE) |
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Abstract |
BACKGROUND Laccase is an intensively researched enzyme for industrial use. Except for decolorisation measurements, HPLC analysis is the conventional method for monitoring the phenolic removal during laccase enzyme reaction. This paper reports an investigation of the continuous UV absorbance follow-up of the laccase reaction with steam pretreated poplar hydrolysate. RESULTS Vanillin was used as a model substrate and lignocellulose xylose rich fraction (XRF) as a biologically complex substrate for laccase detoxification. The reaction was followed by HPLC-UV as well as by UV spectrometric measurements. Results suggest that the reaction can be successfully monitored by measuring the change of UV absorbance at 280 nm, without previous compound separation. In case of XRF experiments the spectrophotometric follow-up is especially useful, as HPLC analysis takes a long time and provides less information than in case of single substrates. The method seems to be suitable for optimization and process control. CONCLUSION The obtained results can help to construct a fast, easy and straightforward monitoring system for laccase-phenolic substrate reactions. |
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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 |
000375768300040 |
Publication Date |
2015-07-29 |
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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 |
0268-2575; 1097-4660 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.135 |
Times cited |
3 |
Open Access |
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Notes |
; This research is financed by the University of Antwerp (project number 15 FA100 002). ; |
Approved |
Most recent IF: 3.135 |
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Call Number |
UA @ admin @ c:irua:127694 |
Serial |
5972 |
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| Permanent link to this record |
