Implementation of PC-SAFT and SAFT + Cubic for modeling thermodynamic properties of haloalkanes. II. 7 Haloethanes and their mixtures
Implementation of PC-SAFT and SAFT + Cubic for modeling thermodynamic properties of haloalkanes. II. 7 Haloethanes and their mixtures
复制标题
实施 PC-SAFT 和 SAFT Cubic 以模拟卤代烷烃的热力学性质。
DOI：
10.1016/j.ijrefrig.2012.10.034
复制
发表时间：
2013
期刊：
影响因子：
--
通讯作者：
Rostislav Potievsky
中科院分区：
文献类型：
--
作者：
I. Polishuk;Erez Assor;Naor Cohen;Rostislav Potievsky
本研究比较了PC-SAFT和SAFT+C对7种卤代乙烷的各种热力学性质的预测效果。对纯复合临界点的正确估计有助于SAFT C+C立方具有卓越的整体稳健性和可靠性。然而，SAFT在模拟远离临界点的蒸汽压和等压热容量方面不太准确。然而，虽然SAFT在分别预测Cp和Cv方面并不准确，但对于比率和算术平均而言，SAFT++Cubic建立了更成功的这些属性的相互误差抵消。因此，热容量的不准确估计对声速预测的影响相对较小。考虑到工程设备中的热容介于恒容和恒压条件之间，SAFT+1立方体实际上可能会对实际数据产生合理的估计。然而，与PC-SAFT相比，它的最大优点是对声速和相平衡的预测。
This study compares PC-SAFT and SAFT + Cubic in predicting various thermodynamic properties of 7 haloethanes. The correct estimation of the pure compound critical points contributes to a superior over-all robustness and reliability of SAFT + Cubic. However SAFT + Cubic is less accurate in modeling vapor pressures and isobaric heat capacities away from the critical points. Nevertheless, while being imprecise in predicting CPand CVseparately, SAFT + Cubic establishes a more successful mutual error cancellation of these properties, both for ratio and for arithmetic average. Hence, the inaccurate estimations of heat capacities have relatively small impact on predictions of sound velocities. Considering the fact that the heat capacities in engineering equipment are somewhere between constant-volume and constant-pressure conditions, SAFT + Cubic might in fact yield reasonable estimations of the actual data. However its strongest points in comparison to PC-SAFT are the predictions of sound velocities and phase equilibria.