Zobrazeno 1 - 10
of 12
pro vyhledávání: '"Maziar Fayaz-Torshizi"'
Publikováno v:
Journal of CO2 Utilization, Vol 79, Iss , Pp 102649- (2024)
We report here molecular simulations of the adsorption and transport behaviour of CH4/CO2 mixtures in two types of non-ideal carbon nanopores. One model decorates an otherwise slit pore with surface imperfections which disrupt the smooth walls; a sec
Externí odkaz:
https://doaj.org/article/50a5c031447b4db386907debdbbed245
Publikováno v:
Energy & Fuels. 36:10026-10042
We report the results of modelling the transport of n-octane and n-hexadecane and their mixtures through carbonaceous nanopores at high-pressure conditions. Pores are modelled as smooth slit sheets with perturbations added as ridges and steps and a v
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::426373de960378deaa4deab390f8574d
https://doi.org/10.1021/acs.energyfuels.2c01651
https://doi.org/10.1021/acs.energyfuels.2c01651
Since the spread of the deadly virus SARS-CoV2 in late 2019, researchers have restlessly been seeking for unraveling how the virus factually enters the host cells. Some proteins on each side of the interaction between the virus and the host cells are
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cbd40e6f6fc0a90588038801cd17c335
https://doi.org/10.20944/preprints202212.0032.v1
https://doi.org/10.20944/preprints202212.0032.v1
Autor:
Maziar Fayaz-Torshizi, Erich A. Müller
Publikováno v:
Molecular Systems Design & Engineering. 6:594-608
A methodology is outlined to parametrize coarse grained molecular models for the molecular dynamics simulation of liquid crystalline bolaamphiphiles (BAs). We employ a top down approach based on the use of the Statistical Associating Fluid Theory (SA
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8c8e53925a9a53d4d1a7464e13f4401a
https://doi.org/10.1039/d1me00021g
https://doi.org/10.1039/d1me00021g
Autor:
Maziar Fayaz-Torshizi, Weilun Xu, Joseph R. Vella, Bennett D. Marshall, Peter I. Ravikovitch, Erich A. Müller
Publikováno v:
The journal of physical chemistry. B. 126(5)
The boundary-driven molecular modeling strategy to evaluate mass transport coefficients of fluids in nanoconfined media is revisited and expanded to multicomponent mixtures. The method requires setting up a simulation with bulk fluid reservoirs upstr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e78346ecc9a9902720b0fcbee7ef62ae
https://pubmed.ncbi.nlm.nih.gov/35104134
https://pubmed.ncbi.nlm.nih.gov/35104134
Publikováno v:
Vaccines. 11:204
Since the spread of the deadly virus SARS-CoV-2 in late 2019, researchers have restlessly sought to unravel how the virus enters the host cells. Some proteins on each side of the interaction between the virus and the host cells are involved as the ma
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::42ab0221f07d174f8d3da695322e0108
https://doi.org/10.3390/vaccines11020204
https://doi.org/10.3390/vaccines11020204
Autor:
Maziar Fayaz-Torshizi, Edward J. Graham, Claire S. Adjiman, Amparo Galindo, George Jackson, Erich A. Müller
Publikováno v:
Journal of Molecular Liquids. 369:120827
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fa9789521992ef5dfd37bb7cb7ae8d38
https://doi.org/10.1016/j.molliq.2022.120827
https://doi.org/10.1016/j.molliq.2022.120827
Autor:
Maziar Fayaz-Torshizi, Erich A. Müller
A framework to self-consistently combine a classical equation of state (EoS) and a molecular force field to model polymers and polymer mixtures is presented. The statistical associating fluid theory (SAFT-γ Mie) model is used to correlate the thermo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3557e486730956a3d3eae0c3b2ddae97
http://hdl.handle.net/10044/1/91771
http://hdl.handle.net/10044/1/91771
Autor:
Erich A. Müller, Guadalupe Jiménez-Serratos, Charlie R. Wand, Maziar Fayaz-Torshizi, Daan Frenkel
Publikováno v:
The Journal of Chemical Thermodynamics. 131:620-629
In this paper, we benchmark a cavity-based simulation method for calculating the relative solubility of large molecules in explicit solvents. The essence of the procedure is the accounting of the Gibbs energy change associated with an alchemical ther
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af71175cc9c38023c274df5b05828a2f
https://doi.org/10.1016/j.jct.2018.11.029
https://doi.org/10.1016/j.jct.2018.11.029
Publikováno v:
ECB 2021.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::485ca8c28d8cd9bdb50843b721d46bbc
https://doi.org/10.3390/ecb2021-10261
https://doi.org/10.3390/ecb2021-10261