基于PR方程以及Van der Waals混合规则,对多元有机混合工质的气液相平衡计算方法进行了研究,以二元混合有机工质R410A、三元混合有机工质R401A、四元混合有机工质R405A为示例工质,进行了等温泡点计算,考察了两种不同的计算相互作用系数...基于PR方程以及Van der Waals混合规则,对多元有机混合工质的气液相平衡计算方法进行了研究,以二元混合有机工质R410A、三元混合有机工质R401A、四元混合有机工质R405A为示例工质,进行了等温泡点计算,考察了两种不同的计算相互作用系数方法对计算结果的影响,并将计算结果与美国标准局的NIST REFPROP 7.0的计算结果进行比较。结果表明:两种方法对于压力及气相组分计算的平均相对误差均小于10%,满足工程计算需要;第一种计算相互作用系数的方法有着更高的精度,其计算压力的平均相对误差最大为3.14%,在温度较低以及气相摩尔分数较小时,拥有较大的误差,其平均误差满足精度要求。展开更多
采用Bond i Rad ii理论计算有机物的范德华体积,从而进一步计算范德华参数,并结合PR方程计算了苯乙烯在超临界CO2中的溶解度,拟合了一些物质的二元交互作用参数,与原PR方程的计算结果进行了比较。结果显示,该法可很好地用于研究缺少范...采用Bond i Rad ii理论计算有机物的范德华体积,从而进一步计算范德华参数,并结合PR方程计算了苯乙烯在超临界CO2中的溶解度,拟合了一些物质的二元交互作用参数,与原PR方程的计算结果进行了比较。结果显示,该法可很好地用于研究缺少范德华参数和临界参数的物质在超临界流体中的溶解性及其他性能。展开更多
In the design of chemical processes,such as catalytic cracking of bitumen and heavy oil,the knowledge of phase behavior at the critical endpoint is essential.Based on the PR equation of state,the algorithm developed b...In the design of chemical processes,such as catalytic cracking of bitumen and heavy oil,the knowledge of phase behavior at the critical endpoint is essential.Based on the PR equation of state,the algorithm developed by Heidemann and Khalil for calculating critical properties was used to compute critical points.An algorithm for determining the equilibrium phase of the critical point using the tangent plane criterion was developed,and was used to calculate the critical endpoints of different mixtures,including non-polar,polar and associating systems.The critical endpoint,representing the type of the phase behavior,was employed to fit the interaction parameter of mixtures in critical state at high pressure.Lines of critical endpoints for ternary mixtures were also determined with the algorithm.展开更多
文摘基于PR方程以及Van der Waals混合规则,对多元有机混合工质的气液相平衡计算方法进行了研究,以二元混合有机工质R410A、三元混合有机工质R401A、四元混合有机工质R405A为示例工质,进行了等温泡点计算,考察了两种不同的计算相互作用系数方法对计算结果的影响,并将计算结果与美国标准局的NIST REFPROP 7.0的计算结果进行比较。结果表明:两种方法对于压力及气相组分计算的平均相对误差均小于10%,满足工程计算需要;第一种计算相互作用系数的方法有着更高的精度,其计算压力的平均相对误差最大为3.14%,在温度较低以及气相摩尔分数较小时,拥有较大的误差,其平均误差满足精度要求。
文摘采用Bond i Rad ii理论计算有机物的范德华体积,从而进一步计算范德华参数,并结合PR方程计算了苯乙烯在超临界CO2中的溶解度,拟合了一些物质的二元交互作用参数,与原PR方程的计算结果进行了比较。结果显示,该法可很好地用于研究缺少范德华参数和临界参数的物质在超临界流体中的溶解性及其他性能。
文摘In the design of chemical processes,such as catalytic cracking of bitumen and heavy oil,the knowledge of phase behavior at the critical endpoint is essential.Based on the PR equation of state,the algorithm developed by Heidemann and Khalil for calculating critical properties was used to compute critical points.An algorithm for determining the equilibrium phase of the critical point using the tangent plane criterion was developed,and was used to calculate the critical endpoints of different mixtures,including non-polar,polar and associating systems.The critical endpoint,representing the type of the phase behavior,was employed to fit the interaction parameter of mixtures in critical state at high pressure.Lines of critical endpoints for ternary mixtures were also determined with the algorithm.
