【摘要】 编制了UNIFAC修正模型的参数估算和h^E、γ_i的推算程序。在二元体系的实验数据基础上估算了参数,并据此对h^E和γ_i作相互推算,证明此修正模型可推广应用于有机氯化物,但模型参数须根据h^E_exp求得。本工作据h^E_exp估算出12对新的基团相互作用参数,它们兼有推算h^E和γ_i的功能。更多还原

【Abstract】 This work shews that the modified UNIFAC model can be applied to organic chlorides for predicting mixing enthalpies and activity coefficients, but the group-interaction parameters must be estimated from h^E_exp. On the basis of h^E_exp, twelve pairs of new group-interaction parameters: CH₂/CCl, CH₂/CCl₃, CH₂/CCl₄, ACH/CCl, ACH/CCl₂, ACH/CCl₃, ACH/CCl₄, CCl₂/CCl₄, ACCl/CH₂, ACCl/ACH, ACCl/ACCH₂ and ACH/ ACNO₂ have been estimated. The results can be used to predlict simultaneously mixing euthalpies and activity coefficients.更多还原