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3 提出模型与以往方法计算效果的对比

Table 3 The comparisons between proposed model and previous methods

方法 AAD/% RMSE Err<5% Err>10% Lydersen 1.16 8.84 116 1 Joback(Tbexp) 1.22 9.11 114 2 Joback(Tbest) 7.63 46.63 69 24 C-G(1st) 5.99 39.05 84 23 C-G(2nd) 5.73 38.15 81 21 Klincewicz-Reid 2.85 17.88 102 5 本文模型 1.12 7.36 119 0