Zobrazeno 1 - 6
of 6
pro vyhledávání: '"M. J. Bojan"'
Publikováno v:
Molecular Simulation. 23:191-201
A modified grand canonical ensemble Monte Carlo (GCMC) technique has been developed to simulate adsorption isotherms for molecules on or near a surface. The speed and accuracy of the simulation is increased by using a non-uniform distribution functio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::afe4b5464372479bb08a72d3523efcec
https://doi.org/10.1080/08927029908022122
https://doi.org/10.1080/08927029908022122
Publikováno v:
Langmuir. 15:1456-1462
Grand canonical and canonical ensemble Monte Carlo computer simulations of the adsorption of N2 on the (110) face of rutile at 77 K are reported. A novel ab initio adsorbate−adsorbent interaction potential is employed in conjunction with the X1 nit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ac7803b542ca078a0a17cfada59e02e0
https://doi.org/10.1021/la9812018
https://doi.org/10.1021/la9812018
Autor:
W. A. Steele, M. J. Bojan
Publikováno v:
Molecular Simulation. 17:303-315
The simulation of krypton in a cylindrical pore with atomically rough walls is reconsidered. Distributions of gas-gas, gas-solid and total energy are presented and discussed in terms of their ability to characterize the adsorbed phase, especially by
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a4b82c68d807565366adef28425cbb18
https://doi.org/10.1080/08927029608024114
https://doi.org/10.1080/08927029608024114
Publikováno v:
Langmuir. 10:3805-3808
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::218a66a0869db06fd5c80778dceec2bb
https://doi.org/10.1021/la00022a067
https://doi.org/10.1021/la00022a067
Publikováno v:
Langmuir. 8:901-908
A model is developed for porous materials in which the atomic nature of the solid is explicitly included. The result is a gas-solid interaction law for molecules in rough-walled pores of arbitrary shape. Simulations of adsorption isotherms and energi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4c27250497dc9edc7166d0a0b80ad620
https://doi.org/10.1021/la00039a027
https://doi.org/10.1021/la00039a027
Autor:
M. J. Bojan, W. A. Steele
Publikováno v:
The Kluwer International Series in Engineering and Computer Science ISBN: 9781461285946
Computer simulations of the sorption of krypton in several model micropores at 120 K are reported. The pores were taken to be cylindrical, some straight-walled and some with constrictions created by allowing the radii to vary sinusoidally with positi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::85796acfd788d53d629929341b748a25
https://doi.org/10.1007/978-1-4613-1375-5_2
https://doi.org/10.1007/978-1-4613-1375-5_2
