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Smits

For a multicomponent system, it is possible to simulate at constant pressure rather than constant volume, as separation into phases of different compositions is still allowed. The method allows one to study straightforwardly phase equilibria in confined systems such as pores [166]. Configuration-biased MC methods can be used in combination with the Gibbs ensemble. An impressive demonstration of this has been the detennination by Siepmaim et al [167] and Smit et al [168] of liquid-vapour coexistence curves for n-alkane chain molecules as long as 48 atoms. [Pg.2269]

Frenkel D and Smit B 1996 Understanding Molecular Simulation From Algorithms to Applications (San Diego Academic)... [Pg.2281]

Frenkel D, Mooij GAM and Smit B 1992 Novel scheme to study structural and thermal properties of continuously deformable molecules J. Phys. Oondens. Matter4 3053-76... [Pg.2285]

Smit B, Loyens L D J C and Verbist G L M M 1997 Simulation of adsorption and diffusion of hydrocarbons in zeoWtes Faraday Disc. Ohem. See. 106 93-104... [Pg.2285]

Vlugt T J H, Krishna R and Smit B 1999 Molecular simulations of adsorption isotherms for linear and branched alkanes and their mixtures in silicalite J. Phys. Ohem. B 103 1102-18... [Pg.2285]

Smit B 1993 Computer simulations in the Gibbs ensemble Oomputer Simuiation in Ohemicai Physics vol 397 NATO ASi Series C ed M P Allen and D J Tildesley (Dordrecht Kluwer) pp 173-209... [Pg.2285]

Siepmann J I, Karaborni S and Smit B 1993 Simulating the oritioal behaviour of oomplex fluids Nature 365 330-2... [Pg.2287]

Smit B, Karaborni S and Siepmann J I 1995 Computer simulations of vapor-liquid phase equilibria of n-alkanesJ. Chem. Phys. 102 2126-40... [Pg.2287]

Esselink K, Smit B and Hilbers P A J 1993 Efficient parallel implementation of molecular dynamics on a toroidal network. I. Parallelizing strategy J. Comput. Phys. 106 101-7... [Pg.2289]

Karaborni S, Esselink K, Hilbers P A J, Smit B, Karthauser J, van Os N M and Zana R 1994 Simulating the self-assembly of Gemini (dimerio) surfaotants Science 266 254... [Pg.2386]

Smit B, Flilbers P A J and Esselink K 1993 Computer simulations of simple oil/water/surfaotants systems Tenside 30 287-93... [Pg.2605]

D. Frenkel and B. Smit. Understandinq Molecular Simulation. Academic Press, 1996. [Pg.315]

Fig. 8.22 Schetnatic structure of the zeolite silicalite showing the straight and zig-zag chaimels. (Figure adapted fron Smit B and JI Siepmann 2994. Simulating the Adsorption of Alkanes in Zeolites. Science 264 1118-1120.)... Fig. 8.22 Schetnatic structure of the zeolite silicalite showing the straight and zig-zag chaimels. (Figure adapted fron Smit B and JI Siepmann 2994. Simulating the Adsorption of Alkanes in Zeolites. Science 264 1118-1120.)...
Siepmann J L S Karaborni and B Smit 1993a. Vapor-Liquid Equilibria of Model Alkanes. Journal oft American Chemical Society 115 6454-6455. [Pg.471]

Siepmaim J I, S. Karaborni and B Smit 1993b. Simulating the Crucial Behaviour of Complex Fluic feature 365 330-332. [Pg.471]

Smit B 1993. Computer Simulation in the Gibbs Ensemble. In Allen M P and D J Tildesley (Editor Computer Simulation in Chemical Physics. Dordrecht, Kluwer. NATO ASI Series 397, pp. 173-210... [Pg.471]

Smit B and T L M Maesen 1995. Commensruate Freezing of Alkanes in the Channels of a ZeolU Nature 374 42M4. [Pg.471]

Smit B and J I Siepmaim 1994. Simulating the Adsorption of Alkanes in Zeolites. Science 264 111 ... [Pg.471]

D. Frenkel, B. Smit, Understanding Molecular Simulation Academic Press, San Diego (1996). [Pg.65]

J. Smit and H. P. J. Wijn, Ferrites, Philips Technical Libiaiy, Eindhoven, the Nethedands, 1959. [Pg.200]

F. Smitli and R. Montgomery, TheChemistyofPlantGumsandMudlages,AQSlsJlonogm h.SeAes emho dVuh]ishm.gQo. P e [Pg.36]

See other pages where Smits is mentioned: [Pg.344]    [Pg.497]    [Pg.2268]    [Pg.2386]    [Pg.20]    [Pg.465]    [Pg.466]    [Pg.467]    [Pg.470]    [Pg.472]    [Pg.472]    [Pg.66]    [Pg.305]    [Pg.281]    [Pg.525]    [Pg.525]    [Pg.539]    [Pg.540]    [Pg.186]    [Pg.281]    [Pg.194]    [Pg.373]    [Pg.67]    [Pg.219]    [Pg.428]    [Pg.428]    [Pg.428]   
See also in sourсe #XX -- [ Pg.322 ]

See also in sourсe #XX -- [ Pg.503 ]



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