Quasi-chemical approach for adsorption of mixtures with non-additive lateral interactions
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- 作者：O.A. Pintoa ; P.M. Pasinettib ; pmp@unsl.edu.ar" class="auth_mail" title="E-mail the corresponding author ; A.J. Ramirez-Pastorb
- 关键词：Equilibrium thermodynamics and statistical mechanics ; Lattice-gas models ; Non-additive lateral interactions ; Gas mixture adsorption ; Monte Carlo simulations
- 刊名：Applied Surface Science
- 出版年：2017
- 出版时间：15 January 2017
- 年：2017
- 卷：392
- 期：Complete
- 页码：1088-1096
- 全文大小：3276 K
文摘
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The classical quasi-chemical approach is generalized to model non-additive mixtures.
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The formalism allows to obtain the partial isotherms and the differential heat of adsorption.
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A rich variety of low-temperature phases is observed in the adsorbed layer.
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Theoretical results show a good agreement with Monte Carlo simulations.