Zobrazeno 1 - 10
of 46
pro vyhledávání: '"K. E. Gubbins"'
Autor:
Y. Inaguma, Katsumi Kaneko, Hirofumi Kanoh, Hiroshi Kajiro, Atsushi Kondo, Tomonori Ohba, Hiroshi Noguchi, K. E. Gubbins
Publikováno v:
Journal of Experimental Nanoscience. 1:91-95
N2 adsorption on Cu–organic crystals [Cu(bpy)2(BF4)2] (bpy = bipyridine) at 77 K begins suddenly at P/P 0 = 0.1. This unique adsorption is named gate adsorption. Gate adsorption is associated with the change of crystal structure from GCMC and dynam
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cf9a17b6e45b1a198a279b2cc0d6b68c
https://doi.org/10.1080/17458080500447241
https://doi.org/10.1080/17458080500447241
Autor:
LEV D. GELB, K. E. GUBBINS
Publikováno v:
Molecular Physics. 96:1795-1804
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::90e7397bdcb67103d4f2c5db63b9b2d7
https://doi.org/10.1080/002689799164234
https://doi.org/10.1080/002689799164234
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. 15:57-63
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c1727c419f145c3f9f3b989773e29bba
https://doi.org/10.1080/08927029508022329
https://doi.org/10.1080/08927029508022329
Autor:
J. P. R. B. Walton, C. R. A. Catlow, G. B. Suffritti, P. Demontis, M. L. Klein, L. Leherte, T. Demi, J. Yarwood, J. Kärger, S. J. Goodbody, J. S. Rowlinson, K. Watanabe, D. MacGowan, D. Nicholson, R. D. Noble, D. J. Tildesley, J. M. D. MacElroy, R. M. Lynden-Bell, K. E. Gubbins, B. Vessal, P. Ugliengo, D. J. Morantz, J. H. Petropoulos
Publikováno v:
Journal of the Chemical Society, Faraday Transactions. 87(13):1997-2010
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::809d008ffed249a290ccaede487ddf6b
https://researchportal.unamur.be/en/publications/e2753f7b-ee1e-407b-80a4-4cc4fdd03470
https://researchportal.unamur.be/en/publications/e2753f7b-ee1e-407b-80a4-4cc4fdd03470
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
Autor:
K. E. Gubbins
Publikováno v:
Molecular Simulation. 8:i-ii
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0cb5b1b2a323029c08a7e7bd7ee772b2
https://doi.org/10.1080/08927029108022464
https://doi.org/10.1080/08927029108022464
Publikováno v:
Physical Chemistry Chemical Physics (PCCP); Aug2008, Vol. 10 Issue 32, p4909-4919, 11p
Autor:
R. M. Lynden-Bell, L. V. Woodcock, J. H. R. Clarke, D. J. Tildesley, J. Yarwood, R. D. Noble, K. E. Gubbins, J. P. R. B. Walton, J. M. D. MacElroy, L. A. Pozhar, J. H. Petropoulos, G. P. Matthews, D. J. Morantz, J. I. Siepmann, M. L. Klein, R. K. Thomas, B. Vessal, A. R. Hillman, M. L. Fernandez, P. Meares, G. B. Suffritti, F. Baros, M. E. Cates
Publikováno v:
Journal of the Chemical Society, Faraday Transactions. 87:2063
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c8d9bc9816a2e30be292bb265c1e636d
https://doi.org/10.1039/ft9918702063
https://doi.org/10.1039/ft9918702063
Autor:
J. P. O'Connell, K. E. Gubbins
Publikováno v:
The Journal of Chemical Physics. 60:3449-3453
For dense polyatomic liquids (ρ > 2ρc), the anisotropic part of the intermolecular forces has remarkably little influence on the isothermal compressibility or on the partial molal volume for the case of mixtures; this is also the case for dilute ga
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9db912015b4e56ff4bd2df9cd5534df6
https://doi.org/10.1063/1.1681558
https://doi.org/10.1063/1.1681558