Critical points of adsorbed phases using a 2D lattice gas equation of state |
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| Institution: | 1. Marine Engineering College, Dalian Maritime University, Dalian 116026, China;2. Environmental Science and Engineering College, Dalian Maritime University, Dalian 116026, China;1. University of Kansas, Institute for Sustainable Engineering, Lawrence, KS, 66045, USA;2. Georgia Institute of Technology, Atlanta, GA, 30332, USA;3. Chromis Technologies, Warren, NJ, 07059, USA;1. Centro de Ciências Moleculares e Materiais, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, Portugal;2. Institut de Chimie de Clermont-Ferrand, Université Blaise Pascal and CNRS, BP 80026, 63171 Aubière, France;1. School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing 100083, PR China;2. Beijing Higher Institution Engineering Research Center of Energy Conservation and Environmental Protection, Beijing 100083, PR China;3. College of Biochemical Engineering, Beijing Union University, Beijing 100023, PR China;4. Department of Chemical Engineering, University of Michigan, Ann Arbor, MI 48109-2136, United States;1. College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing, 211816, PR China;2. National Supercomputing Center in Shenzhen, Shenzhen, 518055, PR China;3. College of Biotechnology and Pharmaceutical Engineering, Nanjing Tech University, Nanjing, 211816, PR China |
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| Abstract: | The types of critical phase diagrams for adsorbed binary mixtures that can be predicted by an equation of state (EOS) based on a two-dimensional lattice gas theory are investigated. The search for critical point conditions was done using the Hicks and Young algorithm, switching to the Heidemann and Khalil algorithm in the close of vicinity of a critical point. We observed that the model can predict critical points that represent the conditions in which a vapor-like and a liquid-like adsorbed phases collapse. The critical diagrams were classified using an analogy with the van Konynenburg and Scott scheme for classifying the critical behavior of binary bulk mixtures. The original classification scheme is based on the critical lines on the pressure–temperature plane; we used a straightforward extension based on the critical lines on the spreading pressure–temperature plane. Five of the six types of phase behavior classified by von Konynenburg and Scott were observed using this thermodynamic model. The transitions between the types of phase diagram were also observed in temperature–mole fraction projections. These results extend previous observations that suggested the possibility of very interesting phase behaviors for adsorbed mixtures. However, experimental data would be necessary to confirm the predicted types of critical diagrams. |
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