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Erschienen in: Adsorption 4-6/2016

05.01.2016

Monte Carlo study of adsorption of additive gas mixture

verfasst von: V. F. Fefelov, P. V. Stishenko, V. M. Kutanov, A. V. Myshlyavtsev, M. D. Myshlyavtseva

Erschienen in: Adsorption | Ausgabe 4-6/2016

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Abstract

The monolayer adsorption of binary gas mixture on a square lattice has been investigated through grand canonical Monte Carlo method and transfer matrix technique. Repulsive and attractive lateral interactions have been introduced between the adsorbed particles for one component of the gas mixture and for another, respectively, at the same time the particles of different components of the gas mixture have not interacted. The model has been studied in the ground state and at finite temperatures. Interesting features of the phase behavior of the gas mixture adlayer were observed and discussed. The model shows that a simultaneous increasing of the chemical potentials of both gas components can lead to displacing of particles of one component on the surfaces by particles of another component.

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Literatur
Zurück zum Zitat Borówko, M., Patrykiejew, A., Rzysko, W., Sokolowski, S.: A Monte Carlo study of adsorption from mixtures of dimers and monomers on heterogeneous solid surfaces. Langmuir 13, 1073–1078 (1997)CrossRef Borówko, M., Patrykiejew, A., Rzysko, W., Sokolowski, S.: A Monte Carlo study of adsorption from mixtures of dimers and monomers on heterogeneous solid surfaces. Langmuir 13, 1073–1078 (1997)CrossRef
Zurück zum Zitat Bortolani, V., March, N.H., Tosi, M.P. (eds.): Interaction of Atoms and Molecules with Solid Surfaces. Springer, Boston (1990) Bortolani, V., March, N.H., Tosi, M.P. (eds.): Interaction of Atoms and Molecules with Solid Surfaces. Springer, Boston (1990)
Zurück zum Zitat Bulnes, F., Ramirez-Pastor, A.J., Pereyra, V.D.: Study of adsorption of binary mixtures on disordered substrates. J. Mol. Catal. Chem. 167, 129–139 (2001)CrossRef Bulnes, F., Ramirez-Pastor, A.J., Pereyra, V.D.: Study of adsorption of binary mixtures on disordered substrates. J. Mol. Catal. Chem. 167, 129–139 (2001)CrossRef
Zurück zum Zitat Fefelov, V.F., Gorbunov, V.A., Myshlyavtsev, A.V., Myshlyavtseva, M.D.: The simplest self-assembled monolayer model with different orientations of complex organic molecules. Monte Carlo and transfer-matrix techniques. Chem. Eng. J. 154, 107–114 (2009)CrossRef Fefelov, V.F., Gorbunov, V.A., Myshlyavtsev, A.V., Myshlyavtseva, M.D.: The simplest self-assembled monolayer model with different orientations of complex organic molecules. Monte Carlo and transfer-matrix techniques. Chem. Eng. J. 154, 107–114 (2009)CrossRef
Zurück zum Zitat Fefelov, V.F., Gorbunov, V.A., Myshlyavtsev, A.V., Myshlyavtseva, M.D., Akimenko, S.S.: Devil’s staircase behavior of a dimer adsorption model. Adsorption. 19, 495–499 (2013)CrossRef Fefelov, V.F., Gorbunov, V.A., Myshlyavtsev, A.V., Myshlyavtseva, M.D., Akimenko, S.S.: Devil’s staircase behavior of a dimer adsorption model. Adsorption. 19, 495–499 (2013)CrossRef
Zurück zum Zitat García, G.D., Sánchez-Varretti, F.O., Bulnes, F., Ramirez-Pastor, A.J.: Monte Carlo study of binary mixtures adsorbed on square lattices. Surf. Sci. 606, 83–90 (2012)CrossRef García, G.D., Sánchez-Varretti, F.O., Bulnes, F., Ramirez-Pastor, A.J.: Monte Carlo study of binary mixtures adsorbed on square lattices. Surf. Sci. 606, 83–90 (2012)CrossRef
Zurück zum Zitat Landau, D.P., Binder, K.: A Guide to Monte Carlo Simulations in Statistical Physics. Cambridge University Press, Cambridge (2009)CrossRef Landau, D.P., Binder, K.: A Guide to Monte Carlo Simulations in Statistical Physics. Cambridge University Press, Cambridge (2009)CrossRef
Zurück zum Zitat Matoz-Fernandez, D.A., Dávila, M.V., Pasinetti, P.M., Ramirez-Pastor, A.J.: A semiempirical model for adsorption of binary mixtures. Phys. Chem. Chem. Phys. 16, 24063–24068 (2014)CrossRef Matoz-Fernandez, D.A., Dávila, M.V., Pasinetti, P.M., Ramirez-Pastor, A.J.: A semiempirical model for adsorption of binary mixtures. Phys. Chem. Chem. Phys. 16, 24063–24068 (2014)CrossRef
Zurück zum Zitat Metropolis, N., Rosenbluth, A.W., Rosenbluth, M.N., Teller, A.H., Teller, E.: Equation of state calculations by fast computing machines. J. Chem. Phys. 21, 1087–1092 (1953)CrossRef Metropolis, N., Rosenbluth, A.W., Rosenbluth, M.N., Teller, A.H., Teller, E.: Equation of state calculations by fast computing machines. J. Chem. Phys. 21, 1087–1092 (1953)CrossRef
Zurück zum Zitat Myshlyavtsev, A.V., Myshlyavtseva, M.D.: Modeling of adsorption and phase diagrams for stepped surfaces: Transfer matrix approach. Appl. Surf. Sci. 253, 5591–5595 (2007)CrossRef Myshlyavtsev, A.V., Myshlyavtseva, M.D.: Modeling of adsorption and phase diagrams for stepped surfaces: Transfer matrix approach. Appl. Surf. Sci. 253, 5591–5595 (2007)CrossRef
Zurück zum Zitat Myshlyavtsev, A.V., Zhdanov, V.P.: The effect of nearest-neighbour and next-nearest-neighbour lateral interactions on thermal desorption spectra. Chem. Phys. Lett. 162, 43–46 (1989)CrossRef Myshlyavtsev, A.V., Zhdanov, V.P.: The effect of nearest-neighbour and next-nearest-neighbour lateral interactions on thermal desorption spectra. Chem. Phys. Lett. 162, 43–46 (1989)CrossRef
Zurück zum Zitat Nguyen, V.T., Fan, C., Razak, M.A., Do, D.D., Nicholson, D., Ustinov, E.: Development of kinetic Monte Carlo and Bin-Monte Carlo schemes for simulation of mixtures – vapor–liquid equilibria & adsorption. Chem. Eng. Sci. 102, 220–226 (2013)CrossRef Nguyen, V.T., Fan, C., Razak, M.A., Do, D.D., Nicholson, D., Ustinov, E.: Development of kinetic Monte Carlo and Bin-Monte Carlo schemes for simulation of mixtures – vapor–liquid equilibria & adsorption. Chem. Eng. Sci. 102, 220–226 (2013)CrossRef
Zurück zum Zitat Pinto, O.A., Pasinetti, P.M., Ramirez-Pastor, A.J., Nieto, F.D.: The adsorption of a mixture of particles with non-additive interactions: A Monte Carlo study. Phys. Chem. Chem. Phys. 17, 3050–3058 (2015)CrossRef Pinto, O.A., Pasinetti, P.M., Ramirez-Pastor, A.J., Nieto, F.D.: The adsorption of a mixture of particles with non-additive interactions: A Monte Carlo study. Phys. Chem. Chem. Phys. 17, 3050–3058 (2015)CrossRef
Zurück zum Zitat Rinaldi, P., Bulnes, F., Ramirez-Pastor, A.J., Zgrablich, G.: Monte Carlo study of multicomponent adsorption on triangular lattices. Surf. Sci. 602, 1783–1794 (2008)CrossRef Rinaldi, P., Bulnes, F., Ramirez-Pastor, A.J., Zgrablich, G.: Monte Carlo study of multicomponent adsorption on triangular lattices. Surf. Sci. 602, 1783–1794 (2008)CrossRef
Zurück zum Zitat Ruthven, D.M.: Principles of Adsorption and Adsorption Processes. Wiley, New York (1984) Ruthven, D.M.: Principles of Adsorption and Adsorption Processes. Wiley, New York (1984)
Zurück zum Zitat Sanchez-Varretti, F.O., Garcia, G.D.: Percolation of binary mixtures adsorbed on square lattices. Phys. Stat. Mech. Appl. 424, 300–311 (2015)CrossRef Sanchez-Varretti, F.O., Garcia, G.D.: Percolation of binary mixtures adsorbed on square lattices. Phys. Stat. Mech. Appl. 424, 300–311 (2015)CrossRef
Zurück zum Zitat Steele, W.A., Zgrablich, G., Rudzinski, W.: Equilibria and Dynamics of Gas Adsorption on Heterogeneous Solid Surfaces. Elsevier, Amsterdam (1996) Steele, W.A., Zgrablich, G., Rudzinski, W.: Equilibria and Dynamics of Gas Adsorption on Heterogeneous Solid Surfaces. Elsevier, Amsterdam (1996)
Zurück zum Zitat Yang, R.T. (ed.): Author Index. In: Gas Separation by Adsorption Processes. pp. 339–345. Butterworth-Heinemann, Boston (1987) Yang, R.T. (ed.): Author Index. In: Gas Separation by Adsorption Processes. pp. 339–345. Butterworth-Heinemann, Boston (1987)
Zurück zum Zitat Zhdanov, V.P.: Elementary Physicochemical Processes on Solid Surfaces. Springer, Boston (1991)CrossRef Zhdanov, V.P.: Elementary Physicochemical Processes on Solid Surfaces. Springer, Boston (1991)CrossRef
Metadaten
Titel
Monte Carlo study of adsorption of additive gas mixture
verfasst von
V. F. Fefelov
P. V. Stishenko
V. M. Kutanov
A. V. Myshlyavtsev
M. D. Myshlyavtseva
Publikationsdatum
05.01.2016
Verlag
Springer US
Erschienen in
Adsorption / Ausgabe 4-6/2016
Print ISSN: 0929-5607
Elektronische ISSN: 1572-8757
DOI
https://doi.org/10.1007/s10450-015-9753-x

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