Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Ivan V. Grenev"'
Autor:
Ivan V. Grenev, Vladimir Yu. Gavrilov
Publikováno v:
Molecules, Vol 28, Iss 1, p 20 (2022)
In silico screening of 10,143 metal−organic frameworks (MOFs) and 218 all-silica zeolites for adsorption-based and membrane-based He and N2 separation was performed. As a result of geometry-based prescreening, structures having zero accessible surf
Externí odkaz:
https://doaj.org/article/fed3ff2cb65b41909de39879270c0e81
Autor:
Ivan V, Grenev, Vladimir Yu, Gavrilov
Publikováno v:
Molecules (Basel, Switzerland). 28(1)
In silico screening of 10,143 metal-organic frameworks (MOFs) and 218 all-silica zeolites for adsorption-based and membrane-based He and N
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::2572742491fa60229ed3c9d7185d12b7
https://pubmed.ncbi.nlm.nih.gov/36615216
https://pubmed.ncbi.nlm.nih.gov/36615216
Publikováno v:
Physical Chemistry Chemical Physics. 23:21329-21337
Aluminum-based metal-organic framework (MOF) CAU-10-H is a promising candidate for heat transformation and water harvesting applications due to its hydrothermal stability, beneficial step-wise water adsorption isotherm and low toxicity. In this study
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f08f9bdb13b7347f2226fe76f4aadb6b
https://doi.org/10.1039/d1cp03242a
https://doi.org/10.1039/d1cp03242a
Autor:
Igor A. Chetyrin, Ivan V. Grenev, Vladimir Yu. Gavrilov, Aleksandr A. Shubin, Irina A. Shamanaeva, Nikita D. Klimkin
Publikováno v:
Microporous and Mesoporous Materials. 328:111503
A novel adsorption-based method for quantitative estimation of the phosphorus atom replacement for a (Si, H+) pair in the SAPO-11 framework is suggested. The most probable configurations and regularities in the location of silicon atoms and protons i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1e81113247e293a359297056bcbb3931
https://doi.org/10.1016/j.micromeso.2021.111503
https://doi.org/10.1016/j.micromeso.2021.111503
Autor:
Ivan V. Grenev, Vladimir Yu. Gavrilov
Publikováno v:
Adsorption. 23:903-915
Adsorption interaction of molecular hydrogen with atomic lattice of aluminophosphate AlPO-n and aluminosilicate zeolites H-ZSM-5 has been studied using representative structural fragments including several unit cells with the volumes ranging from 32
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3cb394fecb9faf0dd2038b79ccae1288
https://doi.org/10.1007/s10450-017-9903-4
https://doi.org/10.1007/s10450-017-9903-4
Autor:
Vladimir Yu. Gavrilov, Ivan V. Grenev
Publikováno v:
Microporous and Mesoporous Materials. 226:146-152
The adsorption interaction of molecular hydrogen with atoms of silicalite-1 and HZSM-5 zeolite frameworks was studied using a representative fragment of the structure including 27 elementary cells with total volume 144 nm3. Potentials of the adsorpti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::92d7b56bb1db2973d7a55a4167c735a3
https://doi.org/10.1016/j.micromeso.2015.12.042
https://doi.org/10.1016/j.micromeso.2015.12.042
Autor:
Ivan V. Grenev, Vladimir Yu. Gavrilov
Publikováno v:
Microporous and Mesoporous Materials. 294:109906
A method for investigation of the Si distribution in the SAPO-11 structure based on the aggregate of simulation and experimental adsorption methods is suggested. Twelve possible configurations of the silicon location in the SAPO-11 framework correspo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e641378fdaa37e485ca9bdb063dbce9b
https://doi.org/10.1016/j.micromeso.2019.109906
https://doi.org/10.1016/j.micromeso.2019.109906
Autor:
V.Yu. Gavrilov, Ivan V. Grenev
Publikováno v:
Microporous and Mesoporous Materials. 208:36-43
Adsorption interaction of molecular hydrogen with framework atoms of aluminophosphate zeolites AlPO-5, -11, -8 and -36 were analyzed using a representative fragment of the structure with the volume about 32 nm3. Isopotential surfaces of the interacti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f1d7161dc2c187d3bb8cfba10a72cd96
https://doi.org/10.1016/j.micromeso.2015.01.031
https://doi.org/10.1016/j.micromeso.2015.01.031