Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Anastasios I. Skoulidas"'
Publikováno v:
AIChE Journal. 51:867-877
Existing detailed models of gas permeation through zeolite membranes have focused on adsorption and diffusion within zeolite crystals. Practical zeolite membranes, however, are typically grown as thin films on porous supports and are often studied ex
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4297a70d326b35e092639b9b750118a6
https://doi.org/10.1002/aic.10335
https://doi.org/10.1002/aic.10335
Publikováno v:
The Journal of Physical Chemistry B. 108:10613-10616
We have used quasi-elastic neutron scattering to determine the concentration-dependent corrected and transport diffusivities for CF4 adsorbed in silicalite at 200 and 250 K. Equilibrium molecular d...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ffe9377805ed7e554b85be3f6936e8ec
https://doi.org/10.1021/jp048461k
https://doi.org/10.1021/jp048461k
Autor:
John L. Falconer, Richard D. Noble, Anastasios I. Skoulidas, Christopher M. Doelling, David S. Sholl, Travis C. Bowen
Publikováno v:
Journal of Membrane Science. 227:123-136
We have directly compared detailed atomistic simulations and experimental measurements of CH4/CF4 mixture permeation through a silicalite membrane at room temperature. The predicted membrane properties are fully specified by the interatomic potential
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d3cdc514e25778264c0bf9b28bafaa2c
https://doi.org/10.1016/j.memsci.2003.08.021
https://doi.org/10.1016/j.memsci.2003.08.021
Publikováno v:
The Journal of Physical Chemistry A. 107:10132-10141
We have used equilibrium molecular dynamics (EMD) to study the influences of pore shape and connectivity on single component diffusion of several gases in silica zeolites using atomically detailed models of these materials. Results are presented for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::57bb7196af10f95e9df6735a718f02a7
https://doi.org/10.1021/jp0354301
https://doi.org/10.1021/jp0354301
Publikováno v:
Langmuir, 19, 7977-7988. American Chemical Society
Correlation effects in diffusion of CH 4 and CF 4 in MFI zeolite have been investigated with the help of molecular dynamics (MD) simulations and the Maxwell-Stefan (M-S) formulation. For single-component diffusion, the correlations are captured by th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c2a9278bcb6ade9350fb4aab345763ac
https://hdl.handle.net/11245/1.211687
https://hdl.handle.net/11245/1.211687
Publikováno v:
The Journal of Physical Chemistry B. 106:5058-5067
We have used atomistic simulations to examine the adsorption isotherms, self diffusivity, and transport diffusivity of seven light gases, CH4, CF4, He, Ne, Ar, Xe, and SF6, adsorbed as single-components in silicalite at room temperature. By using equ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::12bc75a64baf4c407db478b9eff91937
https://doi.org/10.1021/jp014279x
https://doi.org/10.1021/jp014279x
Autor:
and Anastasios I. Skoulidas, David S. Sholl, Richard D. Noble, Travis C. Bowen, John L. Falconer
Publikováno v:
Industrial & Engineering Chemistry Research. 41:1641-1650
We present experimental and theoretical results for single-component permeance of CH4 and CF4 through a supported silicalite membrane at a range of temperatures and pressures. Our theoretical model...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::481feb433b01340a251e1151618d9fb5
https://doi.org/10.1021/ie010303h
https://doi.org/10.1021/ie010303h
Publikováno v:
The Journal of Physical Chemistry B. 105:3151-3154
We have used equilibrium molecular dynamics and grand canonical Monte Carlo simulations to compute the transport diffusivities of CH4 and CF4 adsorbed in a fully atomistic model of silicalite over a wide range of temperatures and pore loadings. Our r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a853c73d0b1aef92642d4804951e1936
https://doi.org/10.1021/jp0044274
https://doi.org/10.1021/jp0044274
Publikováno v:
The Journal of Chemical Physics. 113:4379-4387
Transport of molecules through microporous crystals can be influenced by transport limitations at the mouths of pores. In the limit of high temperatures, the kinetics of adsorption into micropores is dominated by steric effects. To assess the role of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e583fec8e5d99152cbb9fce0f24ef322
https://doi.org/10.1063/1.1288126
https://doi.org/10.1063/1.1288126
Publikováno v:
The journal of physical chemistry. B. 109(27)
Molecular simulations using standard force fields have been carried out to model the adsorption of various light gases on a number of different metal organic framework-type materials. The results have been compared with the available experimental dat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd5a33c87c44cbd897456893240bfe80
https://pubmed.ncbi.nlm.nih.gov/16852629
https://pubmed.ncbi.nlm.nih.gov/16852629