Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Francisco D. Lahoz-Martín"'
Publikováno v:
The Journal of Physical Chemistry C. 122:8637-8646
We use molecular simulations to study the adsorption of ethane and ethylene in zeolitic imidazolate frameworks. The separation of these two compounds is a crucial step in many industrial processes, most of them related to production of ethylene. Sepa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fee63ad39c7505a70bca8c72c57ad2d2
https://doi.org/10.1021/acs.jpcc.8b01305
https://doi.org/10.1021/acs.jpcc.8b01305
Publikováno v:
Microporous and Mesoporous Materials. 248:40-45
This computational study focuses on the adsorption and diffusion of ethane and ethylene in IsoReticular Metal-Organic Frameworks (IRMOFs). We selected the IRMOFs family for the diversity of linkers, which allows understanding the effect that function
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3ae06c3869d11f11c6c902e99b346e36
https://doi.org/10.1016/j.micromeso.2017.04.009
https://doi.org/10.1016/j.micromeso.2017.04.009
Publikováno v:
The Journal of Physical Chemistry C. 118:13126-13136
We use molecular simulation to study the selective adsorption of BTEX mixtures (benzene, toluene, ethylbenzene, xylenes) in metal–organic frameworks. The adsorption of these compounds is a basic step in reutilizing petrochemical industry derivative
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::345c371a22486f035a4e40b9e83ffe4a
https://doi.org/10.1021/jp411697z
https://doi.org/10.1021/jp411697z
Publikováno v:
JOURNAL OF PHYSICAL CHEMISTRY C.
We have used molecular simulations to analyze the effect of water on the adsorption of carbon monoxide in metal–organic frameworks. We have developed a model for carbon monoxide that not only reproduces the required experimental properties more acc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f35dd1954fbf95598b43ab74d2878e5b