Zobrazeno 1 - 7
of 7
pro vyhledávání: '"M. W. Maddox"'
Autor:
K. E. Gubbins, M. W. Maddox
Publikováno v:
The Journal of Chemical Physics. 107:9659-9667
A combination of grand canonical Monte Carlo and molecular dynamics simulation techniques are used to study the freezing and melting of Lennard-Jones methane in several different cylindrical pores. Two different types of pore wall are considered; a s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9f7b7c5c4c214617638baabfd3b5e7f6
https://doi.org/10.1063/1.475261
https://doi.org/10.1063/1.475261
Publikováno v:
Molecular Simulation. 19:267-283
Grand canonical molecular dynamics (GCMD) simulations are used to study the adsorption and desorption of Lennard-Jones nitrogen in three slit pore junction models of microporous graphite. These networks consist of two narrow pores separated by a wide
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::26cf16550ad74650e37a9a09de4a3f7f
https://doi.org/10.1080/08927029708024157
https://doi.org/10.1080/08927029708024157
Publikováno v:
Langmuir. 13:1737-1745
We present new experimental data and molecular simulation results for the adsorption of nitrogen in MCM-41. We show that models in which the solid-fluid interaction potential is homogeneous cannot reproduce the form of the adsorption isotherm, partic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0b2861256117700c9b6108f620fec940
https://doi.org/10.1021/la961068o
https://doi.org/10.1021/la961068o
Publikováno v:
Adsorption. 2:23-32
MCM-41 and buckytubes are novel porous materials with controllable pore sizes and narrow pore size distributions. Buckytubes are carbon tubes with internal diameters in the range 1–5 urn. The structure of each tube is thought to be similar to one o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e13617d8902b22b0fe5a3b1b70726f68
https://doi.org/10.1007/bf00127095
https://doi.org/10.1007/bf00127095
Autor:
M. W. Maddox, Keith E. Gubbins
Publikováno v:
International Journal of Thermophysics. 15:1115-1123
We report grand canonical Monte Carlo (GCMC) molecular-simulation studies of argon and nitrogen in models of two novel adsorbents, buckytubes and MCM-41. Buckytubes are monodisperse carbon tubes with internal diameters of 1–5 nm and a regular pore
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d8606a28ffcf36010b7675b883fca6cc
https://doi.org/10.1007/bf01458820
https://doi.org/10.1007/bf01458820
Publikováno v:
The Kluwer International Series in Engineering and Computer Science ISBN: 9781461285946
Grand canonical Monte Carlo (GCMC) and grand canonical molecular dynamics (GCMD) simulations are used to study the adsorption and desorption of spherical Lennard-Jones nitrogen in model porous carbon networks at 77 K. IUP AC type IV isotherms are pro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2abfe5b4d6359196b92fe57dc014f6a8
https://doi.org/10.1007/978-1-4613-1375-5_71
https://doi.org/10.1007/978-1-4613-1375-5_71
Autor:
K. E. Gubbins, M. W. Maddox
Publikováno v:
The Kluwer International Series in Engineering and Computer Science ISBN: 9781461285946
Grand canonical Monte Carlo (GCMC) molecular simulation is used to study the adsorption of argon in model buckytubes and an equimolar argon/nitrogen mixture in a model MCM-41 pore. The critical buckytube pore diameter above which argon exhibits first
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5a950fd7f2e5918b71e9933742bf77ef
https://doi.org/10.1007/978-1-4613-1375-5_70
https://doi.org/10.1007/978-1-4613-1375-5_70