References
- Billes , W. , Bazant-Hegemark , F. , Mecke , M. , Wendland , M. and Fischer , J. 2003 . Change of free energy during adsorption of a molecule . Langmuir , 19 : 10862
- Billes , W. , Tscheliessnig , R. and Fischer , J. 2005 . Molecular simulation of adsorption from dilute solutions . Acta Biochim. Pol. , 52 : 685
- Tscheliessnig , R. , Billes , W. , Wendland , M. , Fischer , J. and Kolafa , J. 2005 . Adsorption of benzene from an aqueous solution . Mol. Sim. , 31 : 661
- J. Kolafa. http://www.vscht.cz/fch/software/macsimus .
- Sokolowski , S. and Fischer , J. 1990 . Lennard–Jones mixtures in slit-like pores: a comparison of simulation and density-functional theory . Mol. Phys. , 71 : 393
- Crachnell , R.F. , Nicholson , N. and Quirke , N. 1997 . Molecular Simulation and Industrial Applications , Edited by: Gubbins , K.E. and Quirke , N. 459 London : Gordon and Breach .
- Yun , J.-H. , Düren , T. , Keil , F.J. and Saeton , N. 2002 . Adsorption of methane, ethane, and their binary mixtures on MCM-41: experimental evaluation of methods for the prediction of adsorption equilibrium . Langmuir , 18 : 2693
- Voung , T. and Monson , P.A. 1999 . Monte Carlo simulations of adsorbed solutions in heterogeneous porous materials . Adsorption , 5 : 295
- Vishnyakov , A. , Piotrovskaya , E.M. and Brodskaya , E.N. 2000 . Liquid–vapor equilibrium and the molecular structure of methane–ethane mixtures adsorbed in a mesopore . Russ. J. Phys. Chem. , 74 : 1500
- Möller , D. , Oprzynski , J. , Müller , A. and Fischer , J. 1992 . Prediction of thermodynamic properties of fluid mixtures by molecular dynamics simulations: methane–ethane . Mol. Phys. , 75 : 363
- Ruthven , D.M. 1982 . Priciples of Adsorption and Adsorption Processes , New York : Wiley Interscience .
- Wendland , M. , Heinbuch , U. and Fischer , J. 1989 . Adsorption of simple gas mixtures on a plane wall: Born-Green-Yvon results for structure, adsorption isotherm and selectivity . Fluid Phase Equil. , 48 : 259
- MacKerell , A.D. Jr , Brooks , B. , Brooks , C.L. III , Nilsson , L. , Roux , B. , Won , Y. Karplus , M. 1998 . The Encyclopedia of Computational Chemistry 1 , Edited by: Schleyer , P.v.R. Vol. 1 , 271 – 277 . Chichester : John Wiley .
- van der Waals , J.D. 1889 . Molecular theory of a substance composed of two different Species (in Dutch) . Z. Phys. Chem. , 5 : 133
- Lorentz , H.A. 1881 . Ueber die anwendung des satzes vom virial in der kinetischen theorie der gase . Ann. Physik , 12 : 127
- Berthelot , D. 1898 . Sur le melange des gaz . Compt. Rend. , 126 : 1703
- Steele , W.A. 1974 . The Interaction of Gases with Solid Surfaces , Oxford : Pergamon Press .
- Müller , A. , Winkelmann , J. and Fischer , J. 1996 . Backone family of equations of state.1. Nonpolar and polar pure fluids . AIChE-J. , 42 : 1116
- Do , D.D. and Do , H.D. 2005 . Evaluation of 1-site and 5-site models of methane on its adsorption on graphite and in grahitic slit pores . J. Phys. Chem. B , 109 : 19288
- Heinbuch , U. and Fischer , J. 1987 . On the application of Widom's test particle method to homogeneous and inhomogeneous fluids . Mol. Sim. , 1 : 109
- Langmuir , I. 1916 . Constitution and fundamental properties of solids and liquids. I. Solids . J. Am. Chem. Soc. , 38 : 2221
- Harris , J.G. 1992 . Liquid–vapor interfaces of alkane oligomers: structure and thermodynamics from molecular dynamics simulations of chemically realistic models . J. Phys. Chem. , 96 : 5077
- Wang , S. , Yu , Y. and Gao , G. 2006 . Grand canonical Monte Carlo and non-equilibrium molecular dynamics simulation study on the selective adsorption and fluxes of oxygen/nitrogen gas mixtures through carbon membranes . J. Membr. Sci. , 271 : 140
- J. Fox. Adsorption of hydrocarbons in porous materials: a computational study. PhD thesis, University of Edinburgh (2005).