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Equation of state for square-well chain molecules with variable range. I: Application for pure substances
Authors:Jinlong Li  Haihua HeChangjun Peng  Honglai LiuYing Hu
Institution:State Key Laboratory of Chemical Engineering, Department of Chemistry, East China University of Science and Technology, 130 Meilong Road, Shanghai 200237, China
Abstract:An equation of state (EOS) for square-well chain molecules with variable range developed on the basis of statistical mechanics for chemical association in our previous work is employed for the calculations of pVT properties and vapor–liquid equilibria (VLE) of pure non-associating fluids. The molecular parameters for 73 normal substances and 46 polymers are obtained from saturated vapor pressure and liquid molar volume data for normal fluids or pVT data for polymers. Linear relations are found for the molecular parameters of normal fluids with their molecular weight of homologous compounds. This indicates that the model parameters of homologous series, subsequently pVT and VLE, can be predicted when experimental data are not available. The predicted saturated vapor pressures and/or liquid volumes are satisfactory through the generalized model parameters. The calculated VLE and pVT for normal fluids and polymers by this EOS are compared with those from other engineering models, respectively.
Keywords:Equation of state  Square-well chain  Vapor&ndash  liquid equilibria  Pure substance
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