TY - JOUR
T1 - Improving the simplified-perturbed-hard-chain theory equation of state using a new non-attracting hard-sphere equation
AU - Nasrifar, Kh
AU - Ayatollahi, Sh
AU - Moshfeghian, M.
PY - 2000
Y1 - 2000
N2 - In this research a new simple non-attracting hard-sphere equation is introduced. The equation meets the ideal gas and close-packed limits and is in accordance with computer simulation data with reasonable accuracy. When this equation is used with the simplified-perturbed-hard-chain theory equation of state, improvements on the calculation of vapour pressure and saturated liquid density of pure compounds are observed. For 35 pure compounds of different classes, the averages of absolute error are 3.31% and 4.20% for the calculation of vapour pressure and saturated liquid density, respectively. The respected errors for the original equation of state are 3.53% and 4.96%, respectively. Moreover, the use of the new hard-sphere equation in place of the Carnahan-Starling equation in the simplified-perturbed-hard-chain theory equation of state, does not have any appreciable effect on the prediction of K factors in VLE calculations.
AB - In this research a new simple non-attracting hard-sphere equation is introduced. The equation meets the ideal gas and close-packed limits and is in accordance with computer simulation data with reasonable accuracy. When this equation is used with the simplified-perturbed-hard-chain theory equation of state, improvements on the calculation of vapour pressure and saturated liquid density of pure compounds are observed. For 35 pure compounds of different classes, the averages of absolute error are 3.31% and 4.20% for the calculation of vapour pressure and saturated liquid density, respectively. The respected errors for the original equation of state are 3.53% and 4.96%, respectively. Moreover, the use of the new hard-sphere equation in place of the Carnahan-Starling equation in the simplified-perturbed-hard-chain theory equation of state, does not have any appreciable effect on the prediction of K factors in VLE calculations.
KW - Equation of state
KW - Hard-sphere equation
KW - Mixture
KW - Pure
KW - SPHCT
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U2 - 10.1002/cjce.5450780611
DO - 10.1002/cjce.5450780611
M3 - Article
AN - SCOPUS:0034457530
SN - 0008-4034
VL - 78
SP - 1111
EP - 1119
JO - Canadian Journal of Chemical Engineering
JF - Canadian Journal of Chemical Engineering
IS - 6
ER -