基于分子指纹和拓扑指数的工质临界温度理论预测

基于分子指纹和拓扑指数的工质临界温度理论预测

任嘉辉,刘豫,刘朝,刘浪,李莹

Critical temperature prediction of working fluids using molecular fingerprints and topological indices

Jiahui REN,Yu LIU,Chao LIU,Lang LIU,Ying LI

表2 现有预测临界温度的方法

Table 2 Existing method for estimation of critical temperature

作者	模型表达式
Klincewicz等^[36]	$T_{c} = 50.2 - 0.16 M_{w} + 1.41 T_{b}$
Lydersen^[11]	$T_{c} = T_{b} {[0.567 + {\sum N_{i} Δ T_{c} - (\sum N_{i} Δ T_{c})}^{2}]}^{- 1}$
Joback等^[12]	$T_{c} = T_{b} {[0.584 + 0.965 {\sum N_{i} Δ T_{c} - (\sum N_{i} Δ T_{c})}^{2}]}^{- 1}$
Constantinou等^[13]	$T_{c} = 181.128 l n (\sum N_{i} Δ T_{c 1} + W \sum M_{j} Δ T_{c 2})$