Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Bhaskarjyoti Borah"'
Publikováno v:
Tetrahedron Green Chem, Vol 4, Iss , Pp 100048- (2024)
Metal oxides are versatile catalysts in organic synthesis, exhibiting diverse properties such as acidity, basicity, redox behaviour, and stability. Among these, tin dioxide (SnO₂) stands out for its resilience and durability, making it a preferred
Externí odkaz:
https://doaj.org/article/37914eb9147d4dbb9f7052503f1f9185
Publikováno v:
The Journal of Physical Chemistry C. 125:1839-1854
Efficient separation of mixtures of light hydrocarbons is an industrially demanding but challenging process. In this study, we present a high-throughput computational screening of ∼12,000 experimen...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f85bd710407393fddee5ec4d97f3614e
https://doi.org/10.1021/acs.jpcc.0c09117
https://doi.org/10.1021/acs.jpcc.0c09117
Autor:
Viral A. Solanki, Bhaskarjyoti Borah
Publikováno v:
The Journal of Physical Chemistry C. 124:4582-4594
Adsorption-based separation of hexane isomers have been investigated widely by researchers across the globe employing variety of adsorbent materials including zeolites and metal–organic frameworks ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b9b0d72a45c5f5261ba54d82f7239d47
https://doi.org/10.1021/acs.jpcc.9b11196
https://doi.org/10.1021/acs.jpcc.9b11196
Autor:
Viral A. Solanki, Bhaskarjyoti Borah
Publikováno v:
Industrial & Engineering Chemistry Research. 58:20047-20065
The work presented in this article is aimed to assess the performances of 4763 Metal–Organic Frameworks (MOFs) for separation of hexane isomers using computer simulation methods. These MOFs, taken ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7913f7180bf77c075d24ce4d6ec7bfc7
https://doi.org/10.1021/acs.iecr.9b03533
https://doi.org/10.1021/acs.iecr.9b03533
Autor:
Bhaskarjyoti Borah, Viral A. Solanki
Publikováno v:
The Journal of Physical Chemistry C. 123:17808-17822
Molecular modelling and computational science tools were employed to select a number of metal–organic frameworks (MOFs) from a pool of 4764 structures to investigate and assess their kinetic and adsorption-based separation performances in separatin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c30f406f28de25be3cde2ac0f8a86e6f
https://doi.org/10.1021/acs.jpcc.9b03240
https://doi.org/10.1021/acs.jpcc.9b03240
Publikováno v:
Journal of Molecular Graphics and Modelling. 114:108188
There has been a growing interest in the separation of aromatic hydrocarbon molecules from the petroleum stream using zeolite-based technologies. This led to numerous experimental and molecular simulation studies of the structural and dynamical prope
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fc369275a7b3092ed7a175064323f25b
https://doi.org/10.1016/j.jmgm.2022.108188
https://doi.org/10.1016/j.jmgm.2022.108188
Autor:
Viral A. Solanki, Bhaskarjyoti Borah
In this article, we present a high-throughput computational screening of 12,351 real metal–organic framework (MOF) structures to identify the best candidate material for the separation of propane/propene mixture. We assessed the performances of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8b4e474b2de5c0cd330b545b47cd2569
Publikováno v:
Journal of Molecular Graphics and Modelling. 97:107574
Pure methane is an alternative source of cleaner energy. Although, natural gas contains around 90% of methane, there are other heavier alkanes such as ethane and propane. Presence of these heavier hydrocarbons affects the reusability of an adsorbed n
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2ba7a0817530463ab7ad7093ad7e526b
https://doi.org/10.1016/j.jmgm.2020.107574
https://doi.org/10.1016/j.jmgm.2020.107574
Publikováno v:
Chemical Engineering Science. 124:135-143
Diffusion of methane, ethane, propane and n-butane was studied within the micropores of several metal organic frameworks (MOFs) of varying topologies, including the MOFs PCN-14, NU-125, NU-1100 and DUT-49. Diffusion coefficients of the pure component
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7b972fe61e5c65f73f72efc7d3be3898
https://doi.org/10.1016/j.ces.2014.09.031
https://doi.org/10.1016/j.ces.2014.09.031
Autor:
Vaiva Krungleviciute, Oleksii V. Gutov, Diego A. Gómez-Gualdrón, Omar K. Farha, Randall Q. Snurr, Bhaskarjyoti Borah, Joseph T. Hupp, Taner Yildirim, Joseph E. Mondloch
Publikováno v:
Chemistry of Materials. 26:5632-5639
A metal–organic framework (MOF) with high volumetric deliverable capacity for methane was synthesized after being identified by computational screening of 204 hypothetical MOF structures featuring (Zr6O4)(OH)4(CO2)n inorganic building blocks. The p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::666944b6f02c94d91325e8c882633111
https://doi.org/10.1021/cm502304e
https://doi.org/10.1021/cm502304e