Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Mahdi, Sohrabi Mahboub"'
Publikováno v:
Journal of Molecular Liquids. 266:743-750
A recently-derived perturbation-theory-based equation of state (EoS) has been used for describing the p-v-T behavior of water confined inside a carbon nanotube (CNT). The one-center united atom model (OCUA) was employed for modeling of water molecule
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c13447f2d42575a37d2839d69e203060
https://doi.org/10.1016/j.molliq.2018.07.015
https://doi.org/10.1016/j.molliq.2018.07.015
Theoretical Study on the Aza–Diels–Alder Reaction Catalyzed by PHCl2 Lewis Acid via Pnicogen Bonding
Publikováno v:
The Journal of Physical Chemistry A. 122:2781-2791
The reaction mechanism of the Aza-Diels-Alder (A-D-A) cycloaddition reaction between X2C═NNH2, where X = H, F, Cl, Br, and 1,3-butadiene catalyzed by a PHCl2 Lewis acid was characterized using density functional theory calculations. The influences
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c24fe48cd50fa7a8d4e5c0be2e0feb3b
https://doi.org/10.1021/acs.jpca.7b12400
https://doi.org/10.1021/acs.jpca.7b12400
Publikováno v:
Journal of Molecular Liquids. 248:539-548
The linear Yukawa isotherm regularity (LYIR) equation of state (EoS) was used to model the p – v – T behavior of n –alkane homologous series C n H 2 n + 2 (6 ≤ n ≤ 20) in the dense fluid region. A molecular model was proposed and the LYIR E
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d7c2702778fff525ddf0110f6ef9a3cd
https://doi.org/10.1016/j.molliq.2017.10.075
https://doi.org/10.1016/j.molliq.2017.10.075
Publikováno v:
Physics and Chemistry of Liquids. 56:730-750
A new generalized perturbed thermodynamic nonlinear isotherm regularity (GPTNLIR) equation of state (EoS) has been proposed for the fluids over the entire density range from gas to liquid. The GPTNLIR has been derived on the basis of an effective nea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::57236ae431193cc73c470731c94a67f2
https://doi.org/10.1080/00319104.2017.1381956
https://doi.org/10.1080/00319104.2017.1381956
Publikováno v:
Journal of Molecular Liquids. 236:18-26
The p–v–T behavior of furfural compounds (FCs) such as 5–methylfurfural (5–MF) and tetrahydrofurfuryl alcohol (THF–A) by using the perturbation-based linear Yukawa isotherm regularity (LYIR) were modeled. The LYIR is a perturbation–based
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fbd3aec7110fe623c9ccc383275c53cf
https://doi.org/10.1016/j.molliq.2017.04.002
https://doi.org/10.1016/j.molliq.2017.04.002
Publikováno v:
Physics and Chemistry of Liquids. 55:637-649
A new simple analytical expression has been derived for predicting the reduced bulk modulus () and isothermal compressibility coefficient () of dense fluids using a new proposed equation of state (EoS) known as the linear Yukawa isotherm regularity (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4e75c5d1d9553bc5324d79580313698b
https://doi.org/10.1080/00319104.2016.1260714
https://doi.org/10.1080/00319104.2016.1260714
Publikováno v:
Materials Research Express. 6:055102
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c2bcee5b7f0e5922e013004868d042ef
https://doi.org/10.1088/2053-1591/ab03af
https://doi.org/10.1088/2053-1591/ab03af
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 28(23)
In this paper, we present the results of an extensive study on a novel approach to the molecular modeling of pure ionic liquids (ILs) that incorporates the perturbed thermodynamic linear Yukawa isotherm regularity (LYIR), which is derived based on an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::760054784d6bc90cb576bc272b2fc2e5
https://pubmed.ncbi.nlm.nih.gov/27157142
https://pubmed.ncbi.nlm.nih.gov/27157142