Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Vahid Sokhanvaran"'
Publikováno v:
Indonesian Journal of Chemistry, Vol 18, Iss 4, Pp 639-646 (2018)
Nanomagnetic Fe3O4@SiO2@ZnCl2 was used as a simple, cost-effective, and reusable heterogeneous catalyst for the synthesis of 2,6-diamino-4-arylpyridine-3,5-dicarbonitriles by a one-pot-three-component condensation reaction of malononitrile, ammonium
Externí odkaz:
https://doaj.org/article/5d69591e09de42b1bf0aa362c2e836a1
Publikováno v:
Journal of Molecular Liquids. 382:121849
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9471cd56a9c8d4207cad6e0cb55eb7a2
https://doi.org/10.1016/j.molliq.2023.121849
https://doi.org/10.1016/j.molliq.2023.121849
Publikováno v:
Applied Surface Science. 479:1006-1013
Monte Carlo molecular simulations in grand canonical ensemble were performed to study the H2S, CO2 and CH4 adsorption and separation on the MIL-47 and the functionalized MIL-47-X (X = -OH and -OCH3). The preferred situation for the adsorption of gas
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1adbb08619978bad16aa80eb2013a820
https://doi.org/10.1016/j.apsusc.2019.02.152
https://doi.org/10.1016/j.apsusc.2019.02.152
Publikováno v:
Journal of Molecular Liquids. 280:87-96
We have carried out molecular dynamics (MD) simulations to study some thermodynamics, structural and dynamical properties of (Au-X)256 {X = Ag, Pd, Pt and Rh} bimetallic nanoalloys with different mole fractions (xAu = 0.5, 0.7 and 0.9) supported on a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::79669f505f8a3d8599feec12fd5e4259
https://doi.org/10.1016/j.molliq.2019.02.045
https://doi.org/10.1016/j.molliq.2019.02.045
Autor:
Masoumeh Nasimi, Vahid Sokhanvaran, Cobra Izanloo, Hamed Akbarzadeh, Sirous Salemi, Mohsen Abbaspour
Publikováno v:
Journal of Molecular Liquids. 266:658-672
In this work, behavior of a supercapacitor has been simulated by confining the [EMIM][BF4], [BMIM][BF4], and [EMIM][PF6] ionic liquids between two parallel graphene oxide (GO) surfaces. We have considered the different effects (such as the degree of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::793c2c1e0cfa5ad4525599a9b5bd58f7
https://doi.org/10.1016/j.molliq.2018.06.123
https://doi.org/10.1016/j.molliq.2018.06.123
Publikováno v:
Journal of Molecular Liquids. 249:477-485
In this study, molecular dynamics simulations were applied to investigate crown-jewel Pt-Pd nanoclusters. The aim of these simulations was determination of the effects of nanocluster size and Pd concentration of shell region on its thermodynamic stab
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::157849f7da40d286f913c4a8e2233930
https://doi.org/10.1016/j.molliq.2017.11.040
https://doi.org/10.1016/j.molliq.2017.11.040
Publikováno v:
Molecular Simulation. 43:260-266
In this work, the adsorption of acetylene and its binary mixture with methane on MOF-5, HKUST-1 and MOF-505 was studied using Grand Canonical Monte Carlo molecular simulations. The preferred adsorption sites of acetylene and methane molecules into me
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6758de80f3a00d182de22fff70ece839
https://doi.org/10.1080/08927022.2016.1262036
https://doi.org/10.1080/08927022.2016.1262036
Autor:
Vahid Sokhanvaran, Saeid Yeganegi
Publikováno v:
ChemPhysChem. 17:4124-4133
The quantum mechanics (QM) method and Grand Canonical Monte Carlo (GCMC) simulations were performed to study the effect of lithium cation doping on the adsorption and separation of CO2, CH4 and H2 on 2-fold interwoven metal-organic framework (MOF) Zn
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6311d873fea2024adf4c6a54b693d801
https://doi.org/10.1002/cphc.201601004
https://doi.org/10.1002/cphc.201601004
Autor:
Saeid Yeganegi, Vahid Sokhanvaran
Publikováno v:
Adsorption. 22:277-285
In this study, the adsorption of hydrogen and methane on the Zn2(NDC)2(diPyTz) [(NDC = 2,6-naphthalenedicarboxylate, diPyTz = di-3,6-(4-pyridyl)-1,2,4,5-tetrazine)] metal–organic framework (MOF) and the effect of its doping with alkali metal cation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2a24cd244554978a0ded8a04e66c254a
https://doi.org/10.1007/s10450-016-9765-1
https://doi.org/10.1007/s10450-016-9765-1
Autor:
Saeid Yeganegi, Vahid Sokhanvaran
Publikováno v:
International Journal of Hydrogen Energy. 39:14008-14017
We have studied effect of alkali and alkaline earth metal cations (Li+, Na+, K+, Be2+, Mg2+) decoration on hydrogen adsorption of the organic linker of Zn2(NDC)2(diPyTz) by employing three cluster models: diPyTz:mLi+ (m = 1–4), diPyTz:mLi+:nH2 (m =
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::647b05db9caece9632e1cf846ad3d6b8
https://doi.org/10.1016/j.ijhydene.2014.07.012
https://doi.org/10.1016/j.ijhydene.2014.07.012