二次形局部组成混合规则及在M-H81状态方程中的应用

首先在二次形混合规则基础上引入局部组成概念,提出了二次形局部组成混合规则。同时通过推导方阱势ＰＹ积分方程的径向分布函数近似解析表达式,建立了新的局部组成模型,并将新的局部组成模型与二次形局部组成混合规则用于马丁－侯８１状态方程进行汽液平衡计算。结果表明,二次形局部组成混合规则优于温函数混合规则,对于丙酮－水、乙醇－水、甲醇－水及苯－丙醇体系计算气相组成与压力精度均有明显提高。

The quadratic functional local composition mixing rule and its application in the M-H81 equation of state

By introducing the concept of local composition into quadratic function mixing rule, a new analytical RDF expression has been derived. The local composition model is also established by using statistical relationship. The new mixing rule has been used as mixing rule for M\|H81 equation of state. Nine substances containing hydrocarbon, alcohol, ketone, ester, water and 18 systems of isothermal VLE date have been calculated and the results show that using the quadratic functional local composition mixing rule the precision of vapor composition and pressure calculation is better than by using temperature mixing rule.