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New prediction method for ternary solid-liquid-vapor equilibrium from binary data

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Title New prediction method for ternary solid-liquid-vapor equilibrium from binary data
 
Creator MUKHOPADHYAY, M
DALVI, SV
 
Subject solubility predictions
carbon-dioxide
antisolvent
expansion
solvent
crystallization
systems
 
Description A new method is presented in this paper for predicting ternary solid-liquid-vapor equilibrium (S-L-V-E) compositions from the binary interaction constants of the (CO2 + solvent) system in the Peng-Robinson (P-R) equation of state (EOS) and the solid solubility in the solvent at a reference pressure. This method first employs calculation of the mole fraction of the solid solute in the ternary liquid mixture as proportional to the partial molar volume fraction (PMVF) of the solvent, that is, the contribution of the solvent to the molar volume of the binary (CO2 + solvent) mixture. Subsequently, vapor-liquid equilibrium (V-L-E) computations are employed for the other two components. The method has been verified in this paper for two ternary systems: G) CO2 + toluene + naphthalene and (ii) CO2 + toluene + phenanthrene. The predicted bubble point pressures at S-L-V-E are found to agree well with the corresponding experimental data from the literature within AARD of +/- 3.11 % and +/- 1.15 %, respectively, for the two ternary systems at 298 K over the pressure range of (14.9 to 62.4) bar. The P-T trace at S-L-V-E also agrees well with the reported trends. The effects of pressure and temperature on ternary-phase diagrams generated by this method are utilized for the assessment of crystallization pathways.
 
Publisher AMER CHEMICAL SOC
 
Date 2011-07-14T13:51:14Z
2011-12-26T12:48:25Z
2011-12-27T05:37:17Z
2011-07-14T13:51:14Z
2011-12-26T12:48:25Z
2011-12-27T05:37:17Z
2005
 
Type Article
 
Identifier JOURNAL OF CHEMICAL AND ENGINEERING DATA, 50(4), 1283-1289
0021-9568
http://dx.doi.org/10.1021/je050028w
http://dspace.library.iitb.ac.in/xmlui/handle/10054/3972
http://hdl.handle.net/10054/3972
 
Language en