A four-parameter cubic equation of state for pure compounds and mixtures

被引:19
作者
Ghoderao, Pradnya N. P. [1 ]
Dalvi, Vishwanath H. [2 ]
Narayan, Mohan [1 ]
机构
[1] Inst Chem Technol, Dept Phys, Bombay 400019, Maharashtra, India
[2] Inst Chem Technol, Dept Chem Engn, Bombay 400019, Maharashtra, India
关键词
Alpha function; Binary; Cubic equation of state; Mixture; Thermodynamic properties; VAPOR-LIQUID-EQUILIBRIA; PENG-ROBINSON EQUATION; VAN-DER-WAALS; SOAVE ALPHA FUNCTION; PLUS PROPANE SYSTEM; BINARY-MIXTURES; VOLUME TRANSLATION; PHASE-EQUILIBRIUM; PATEL-TEJA; M-XYLENE;
D O I
10.1016/j.ces.2018.06.010
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
A four parameter cubic equation of state, GDN-CEOS, is presented to describe thermodynamic properties of pure fluids and mixtures. We have cast three of the four parameters in terms of the remaining parameter and all the parameters are temperature independent. A new alpha function is proposed in the attractive term of the CEOS; which requires two compound-specific parameters determined from saturation vapor pressure data at two reduced temperature points T-r = 0.5 and 0.7. Hence, the GDN CEOS has five inputs per substance: the critical temperature (T-c), the critical pressure (P-c), the critical compressibility factor (Z(c)) and two compound specific parameters (m, n) of the alpha function. The saturated vapor pressure and liquid density of 334 pure compounds, representing a large variety of functional groups, are predicted successfully. Other thermodynamic properties such as isobaric and isochoric heat capacities, sound velocity, compressed liquid density and enthalpy of vaporization have been calculated using GDN CEOS with remarkably good accuracy. The GDN CEOS is further applied to the prediction of bubble pressure and vapor mole fraction of several binary mixtures using the van der Waals one fluid mixing rules. The accuracy of GDN CEOS is demonstrated by comparing results with three well-known equations of state: Haghtalab-Kamali-Mazloumi-Mahmoodi (HKM1), Modified Peng Robinson (MPR) and Patel-Teja (PT) cubic equations of state. (C) 2018 Elsevier Ltd. All rights reserved.
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页码:173 / 189
页数:17
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