期刊论文

Peng, Guowen

英文

PLOS ONE

1932-6203

2016

11

2

e0147126

10.1371/journal.pone.0147126

National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [51574152, 11205084]; Foundation of Hunan Province Science and Technology Department [2014GK3079]; social development and science & technology support of Hengyang city [2014KS26]; Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, Changsha University of Science & Technology, P. R. China [2016CL03]

本校为第一且通讯机构

Novel group quantitative structure-property relationship (QSPR) models on the thermodynamic properties of PBXTHs were presented, by the multiple linear regression (MLR) analysis method. Four thermodynamic properties were studied: the entropy (S-theta), the standard enthalpy of formation (Delta H-f(theta)), the standard Gibbs energy of formation (Delta(f)G(theta)), and the relative standard Gibbs energy of formation (Delta(R)G(theta)). The results by the formula indicate that the calculated and predicted data in this study are in good agreement with those in literature and the deviation is with...