Comparison of thermodynamic lattice models for multicomponent mixtures
Liquid–liquid equilibrium (LLE) phase behaviors for twenty ternary systems are examined by four lattice-based thermodynamic models, the Flory–Huggins model (F-H), the modified double lattice model (MDL), the modified double lattice model-chain length dependent (MDL-CL) and the Xin model, and compare...
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Veröffentlicht in: | Fluid phase equilibria 2014-10, Vol.380, p.100-115 |
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description | Liquid–liquid equilibrium (LLE) phase behaviors for twenty ternary systems are examined by four lattice-based thermodynamic models, the Flory–Huggins model (F-H), the modified double lattice model (MDL), the modified double lattice model-chain length dependent (MDL-CL) and the Xin model, and compared with experimental data. Ternary systems are composed of simple molecule and polymer solutions, and are described according to Treybal classifications of Type 0, 1, 2 or 3. These types of phase behaviors can be influenced by the nature of the solvent or temperature, and accurate predictions are important in the separation process and to recover residual oils. The interaction energy parameters directly obtained from the LLE binary systems are used to predict the ternary systems. Applicable types of binary phase behavior and adjustable parameters for each model are tabulated. The vapor–liquid equilibrium (VLE) for polymer/solvent systems and the swelling equilibrium of the hydrogel system are described and the same interaction energy parameters from the LLE binary systems were also used. The MDL-CL and Xin models provide better agreement with experimental data than other models. |
doi_str_mv | 10.1016/j.fluid.2014.07.042 |
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Ternary systems are composed of simple molecule and polymer solutions, and are described according to Treybal classifications of Type 0, 1, 2 or 3. These types of phase behaviors can be influenced by the nature of the solvent or temperature, and accurate predictions are important in the separation process and to recover residual oils. The interaction energy parameters directly obtained from the LLE binary systems are used to predict the ternary systems. Applicable types of binary phase behavior and adjustable parameters for each model are tabulated. The vapor–liquid equilibrium (VLE) for polymer/solvent systems and the swelling equilibrium of the hydrogel system are described and the same interaction energy parameters from the LLE binary systems were also used. 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Ternary systems are composed of simple molecule and polymer solutions, and are described according to Treybal classifications of Type 0, 1, 2 or 3. These types of phase behaviors can be influenced by the nature of the solvent or temperature, and accurate predictions are important in the separation process and to recover residual oils. The interaction energy parameters directly obtained from the LLE binary systems are used to predict the ternary systems. Applicable types of binary phase behavior and adjustable parameters for each model are tabulated. The vapor–liquid equilibrium (VLE) for polymer/solvent systems and the swelling equilibrium of the hydrogel system are described and the same interaction energy parameters from the LLE binary systems were also used. The MDL-CL and Xin models provide better agreement with experimental data than other models.</description><subject>Binary systems</subject><subject>Energy use</subject><subject>Lattice model</subject><subject>Lattices</subject><subject>Liquid–liquid equilibria</subject><subject>Mathematical models</subject><subject>Multicomponent system</subject><subject>Solvents</subject><subject>Swelling</subject><subject>Ternary systems</subject><subject>Thermodynamics</subject><issn>0378-3812</issn><issn>1879-0224</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2014</creationdate><recordtype>article</recordtype><recordid>eNqFkL1OwzAURi0EEqXwBCwZWRLutRPbGRhQxZ9UiQVmy9iOcJXExXYQfXtSygzTlT6dc4dDyCVChYD8elN1_eRtRQHrCkQFNT0iC5SiLYHS-pgsgAlZMon0lJyltAEAbDhdkPtVGLY6-hTGInRFfndxCHY36sGbotc5e-OKeXF9KroQi2Hq52l2wujGXAz-K0_RpXNy0uk-uYvfuySv93cvq8dy_fzwtLpdl6YGnkuJLUOjrTGNpbrtGm0YoGa27bCmoDk2UlLbcqSCSS6wfRMCahC8pYw6YEtydfi7jeFjcimrwSfj-l6PLkxJoeBNW7OGyf9RzmHuxKCZUXZATQwpRdepbfSDjjuFoPaB1Ub9BFb7wAqE2otLcnOw5jbu07uokvFuNM766ExWNvg__W8UpYQ1</recordid><startdate>20141025</startdate><enddate>20141025</enddate><creator>Choi, Ji Su</creator><creator>Yang, Han Earl</creator><creator>Lee, Chan Hee</creator><creator>Bae, Young Chan</creator><general>Elsevier B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7U5</scope><scope>8FD</scope><scope>L7M</scope><scope>7UA</scope><scope>C1K</scope><scope>F1W</scope><scope>H96</scope><scope>L.G</scope></search><sort><creationdate>20141025</creationdate><title>Comparison of thermodynamic lattice models for multicomponent mixtures</title><author>Choi, Ji Su ; Yang, Han Earl ; Lee, Chan Hee ; Bae, Young Chan</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c406t-81931cadcc5d2a9f5ac301a3d9f1420a615882d96127386719b77040769232e03</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2014</creationdate><topic>Binary systems</topic><topic>Energy use</topic><topic>Lattice model</topic><topic>Lattices</topic><topic>Liquid–liquid equilibria</topic><topic>Mathematical models</topic><topic>Multicomponent system</topic><topic>Solvents</topic><topic>Swelling</topic><topic>Ternary systems</topic><topic>Thermodynamics</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Choi, Ji Su</creatorcontrib><creatorcontrib>Yang, Han Earl</creatorcontrib><creatorcontrib>Lee, Chan Hee</creatorcontrib><creatorcontrib>Bae, Young Chan</creatorcontrib><collection>CrossRef</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>Water Resources Abstracts</collection><collection>Environmental Sciences and Pollution Management</collection><collection>ASFA: Aquatic Sciences and Fisheries Abstracts</collection><collection>Aquatic Science & Fisheries Abstracts (ASFA) 2: Ocean Technology, Policy & Non-Living Resources</collection><collection>Aquatic Science & Fisheries Abstracts (ASFA) Professional</collection><jtitle>Fluid phase equilibria</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Choi, Ji Su</au><au>Yang, Han Earl</au><au>Lee, Chan Hee</au><au>Bae, Young Chan</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Comparison of thermodynamic lattice models for multicomponent mixtures</atitle><jtitle>Fluid phase equilibria</jtitle><date>2014-10-25</date><risdate>2014</risdate><volume>380</volume><spage>100</spage><epage>115</epage><pages>100-115</pages><issn>0378-3812</issn><eissn>1879-0224</eissn><abstract>Liquid–liquid equilibrium (LLE) phase behaviors for twenty ternary systems are examined by four lattice-based thermodynamic models, the Flory–Huggins model (F-H), the modified double lattice model (MDL), the modified double lattice model-chain length dependent (MDL-CL) and the Xin model, and compared with experimental data. Ternary systems are composed of simple molecule and polymer solutions, and are described according to Treybal classifications of Type 0, 1, 2 or 3. These types of phase behaviors can be influenced by the nature of the solvent or temperature, and accurate predictions are important in the separation process and to recover residual oils. The interaction energy parameters directly obtained from the LLE binary systems are used to predict the ternary systems. Applicable types of binary phase behavior and adjustable parameters for each model are tabulated. The vapor–liquid equilibrium (VLE) for polymer/solvent systems and the swelling equilibrium of the hydrogel system are described and the same interaction energy parameters from the LLE binary systems were also used. The MDL-CL and Xin models provide better agreement with experimental data than other models.</abstract><pub>Elsevier B.V</pub><doi>10.1016/j.fluid.2014.07.042</doi><tpages>16</tpages></addata></record> |
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subjects | Binary systems Energy use Lattice model Lattices Liquid–liquid equilibria Mathematical models Multicomponent system Solvents Swelling Ternary systems Thermodynamics |
title | Comparison of thermodynamic lattice models for multicomponent mixtures |
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