A four parameter cubic equation of state with temperature dependent covolume parameter

doi:10.1016/j.cjche.2018.08.013

摘要/Abstract

摘要： A four-parameter, Ghoderao-Dalvi-Narayan 2 cubic equation of state (GDN2 CEOS), is presented which incorporates the following:1. The experimental value of the critical compressibility factor has been used as a fixed input parameter for calculations; 2. All the parameters (a, b, c, d) of CEOS are temperature dependent functions in the subcritical region and are temperature independent functions in the supercritical region and; 3. A new α function is introduced with two compound specific parameters which are estimated by matching saturated vapor pressure at two fixed temperature points T_r=0.5, 0.7. Our formalism enables us to cast three of the four parameters of the CEOS as a function of the remaining parameter. The proposed CEOS is used to predict properties of 334 pure compounds, including saturated vapor pressure and liquid density, compressed liquid density, heat capacities at the constant pressure and volume, enthalpy of vaporization, sound velocity. To calculate thermodynamic properties of a pure compound, the present CEOS require the critical temperature, the critical pressure, the Pitzer's acentric factor, the critical compressibility factor, and two parameters of the alpha function. The saturated liquid density predictions for pure fluids are very accurate when compared with GDN1 (Ghoderao-Dalvi-Narayan 1), MPR (Modified Peng-Robinson), and PT (Patel-Teja) equations of state. Unlike MPR EOS, the proposed temperature dependent covolume parameter b in the present work satisfies all the constraints mentioned in the literature to avoid thermodynamic inconsistencies at the extreme temperature and pressure. Using van der Waals one-fluid mixing rule, the present CEOS is further used to predict bubble pressure and the vapor mole fraction of binary mixtures.

关键词: Phase equilibria, Thermodynamic properties, Vapor-liquid equilibria, The cubic equation of state, Covolume parameter, Supercritical region

Abstract: A four-parameter, Ghoderao-Dalvi-Narayan 2 cubic equation of state (GDN2 CEOS), is presented which incorporates the following:1. The experimental value of the critical compressibility factor has been used as a fixed input parameter for calculations; 2. All the parameters (a, b, c, d) of CEOS are temperature dependent functions in the subcritical region and are temperature independent functions in the supercritical region and; 3. A new α function is introduced with two compound specific parameters which are estimated by matching saturated vapor pressure at two fixed temperature points T_r=0.5, 0.7. Our formalism enables us to cast three of the four parameters of the CEOS as a function of the remaining parameter. The proposed CEOS is used to predict properties of 334 pure compounds, including saturated vapor pressure and liquid density, compressed liquid density, heat capacities at the constant pressure and volume, enthalpy of vaporization, sound velocity. To calculate thermodynamic properties of a pure compound, the present CEOS require the critical temperature, the critical pressure, the Pitzer's acentric factor, the critical compressibility factor, and two parameters of the alpha function. The saturated liquid density predictions for pure fluids are very accurate when compared with GDN1 (Ghoderao-Dalvi-Narayan 1), MPR (Modified Peng-Robinson), and PT (Patel-Teja) equations of state. Unlike MPR EOS, the proposed temperature dependent covolume parameter b in the present work satisfies all the constraints mentioned in the literature to avoid thermodynamic inconsistencies at the extreme temperature and pressure. Using van der Waals one-fluid mixing rule, the present CEOS is further used to predict bubble pressure and the vapor mole fraction of binary mixtures.

Key words: Phase equilibria, Thermodynamic properties, Vapor-liquid equilibria, The cubic equation of state, Covolume parameter, Supercritical region

Pradnya N. P. Ghoderao, Vishwanath H. Dalvi, Mohan Narayan. A four parameter cubic equation of state with temperature dependent covolume parameter[J]. 中国化学工程学报, 2019, 27(5): 1132-1148.

Pradnya N. P. Ghoderao, Vishwanath H. Dalvi, Mohan Narayan. A four parameter cubic equation of state with temperature dependent covolume parameter[J]. Chinese Journal of Chemical Engineering, 2019, 27(5): 1132-1148.

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