Zobrazeno 1 - 10
of 300
pro vyhledávání: '"Thijs J H, Vlugt"'
Publikováno v:
Electrochem, Vol 3, Iss 3, Pp 549-569 (2022)
Mass transport of different species plays a crucial role in electrochemical conversion of CO2 due to the solubility limit of CO2 in aqueous electrolytes. In this study, we investigate the transport of CO2 and other ionic species through the electroly
Externí odkaz:
https://doaj.org/article/a6e44be4d6cc41b49be3afdcc10b4a5d
Autor:
Koen Heijmans, Ionut C. Tranca, Ming-Wen Chang, Thijs J. H. Vlugt, Silvia V. Gaastra-Nedea, David M. J. Smeulders
Publikováno v:
ACS Omega, Vol 6, Iss 48, Pp 32475-32484 (2021)
Externí odkaz:
https://doaj.org/article/81665521358c4981a36a1dbe0816efd7
Autor:
Sander Korver, Eva Schouten, Othonas A. Moultos, Peter Vergeer, Michiel M. P. Grutters, Leo J. C. Peschier, Thijs J. H. Vlugt, Mahinder Ramdin
Publikováno v:
Scientific Reports, Vol 10, Iss 1, Pp 1-8 (2020)
Abstract In arson cases, evidence such as DNA or fingerprints is often destroyed. One of the most important evidence modalities left is relating fire accelerants to a suspect. When gasoline is used as accelerant, the aim is to find a strong indicatio
Externí odkaz:
https://doaj.org/article/55aecca502044dcdbe452cabcab9d3b0
Autor:
Dominika O. Wasik, H. Mert Polat, Mahinder Ramdin, Othonas A. Moultos, Sofia Calero, Thijs J. H. Vlugt
Publikováno v:
Journal of Physical Chemistry C, 126(45), 19424-19434. American Chemical Society
The Journal of Physical Chemistry C, 126(45)
The Journal of Physical Chemistry C, 126(45)
There is a growing interest in the development of routes to produce formic acid from CO2, such as the electrochemical reduction of CO2to formic acid. The solubility of CO2in the electrolyte influences the production rate of formic acid. Here, the dep
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::00c96c4dfe00f74dfc53451149e8ffae
https://doi.org/10.1021/acs.jpcc.2c05476
https://doi.org/10.1021/acs.jpcc.2c05476
Autor:
Thijs J. H. Vlugt
Publikováno v:
Molecular Simulation, 49 (2023)(1)
In this manuscript, we show how to compute partial molar properties (e.g. partial molar volumes, energies, and enthalpies) of fluid mixtures from single Molecular Dynamics simulations in the microcanonical or canonical ensemble, using only relatively
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1033714bf68fc6b91cb17e479e55da39
https://doi.org/10.1080/08927022.2022.2126509
https://doi.org/10.1080/08927022.2022.2126509
Autor:
Andrew R. T. Morrison, Mahinder Ramdin, Leo J. P. van der Broeke, Wiebren de Jong, Thijs J. H. Vlugt, Ruud Kortlever
Publikováno v:
The Journal of Physical Chemistry C, 126(29)
The electrochemical CO2 reduction reaction (CO2RR) is important for a sustainable future. Key insights into the reaction pathways have been obtained by density functional theory (DFT) analysis, but so far, DFT has been unable to give an overall under
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::481c108fd7df1360e0f3558fc6dfe6a0
https://doi.org/10.1021/acs.jpcc.2c00520
https://doi.org/10.1021/acs.jpcc.2c00520
Autor:
Pinqiang Cao, Jianyang Wu, Zhisen Zhang, Bin Fang, Li Peng, Tianshu Li, Thijs J. H. Vlugt, Fulong Ning
Publikováno v:
AIP Advances, Vol 8, Iss 12, Pp 125108-125108-22 (2018)
A sound knowledge of fundamental mechanical properties of water ice is of crucial importance to address a wide range of applications in earth science, engineering, as well as ice sculpture and winter sports, such as ice skating, ice fishing, ice clim
Externí odkaz:
https://doaj.org/article/c08cc4d9c748467c97ecaa6ef6e20039
Publikováno v:
Nature Communications, Vol 7, Iss 1, Pp 1-8 (2016)
Cation exchange is a promising technique to modify ionic nanostructures by replacing the existing cations with those provided by the solution. Here, the authors use molecular dynamics to study cation exchange in PbS nanocrystals by combining solvent
Externí odkaz:
https://doaj.org/article/e909a622d4364bb785c6bb9e764d363b
Autor:
Vyomesh M. Parsana, Sachin Parikh, Keval Ziniya, Hirvita Dave, Piyush Gadhiya, Kedar Joshi, Dolly Gandhi, Thijs J. H. Vlugt, Mahinder Ramdin
Publikováno v:
Journal of Chemical and Engineering Data, 68(2)
Vapor-liquid equilibrium (VLE) data for the binary systems tetrahydrofuran (THF) + acetic acid (AA) and THF + trichloroethylene (TCE) were measured under isobaric conditions using an ebulliometer. The boiling temperatures for the systems (THF + AA/TH
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9bf42b4c9a500211a00cd4297a83d73c
http://resolver.tudelft.nl/uuid:29d564c9-b01c-432b-b9ce-2688722a35a4
http://resolver.tudelft.nl/uuid:29d564c9-b01c-432b-b9ce-2688722a35a4
Autor:
Shrinjay Sharma, Salvador R. G. Balestra, Richard Baur, Umang Agarwal, Erik Zuidema, Marcello S. Rigutto, Sofia Calero, Thijs J. H. Vlugt, David Dubbeldam
Publikováno v:
Molecular Simulation, 49(9)
We present the RUPTURA code (https://github.com/iraspa/ruptura) as a free and open-source software package (MIT license) for (1) the simulation of gas adsorption breakthrough curves, (2) mixture prediction using methods like the Ideal Adsorption Solu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a5c1b171755bd094c1a016e7c5462296
https://doi.org/10.1080/08927022.2023.2202757
https://doi.org/10.1080/08927022.2023.2202757