Improved Prediction of Hydrocarbon Flash Points from Boiling Point Data

被引：39

作者：

Carroll, Felix A. ^{[1
]}

Lin, Chung-Yon ^{[1
]}

Quina, Frank H. ^{[2
]}

机构：

[1] Davidson Coll, Dept Chem, Davidson, NC 28035 USA

[2] Univ Sao Paulo, Inst Quim, BR-05513970 Sao Paulo, Brazil

来源：

ENERGY & FUELS | 2010年 / 24卷 / 09期

关键词：

TEMPERATURE; EQUATION;

D O I：

10.1021/ef1005836

中图分类号：

TE [石油、天然气工业]; TK [能源与动力工程];

学科分类号：

0807 ; 0820 ;

摘要：

Flash points (T-FP) of hydrocarbons are calculated from their flash point numbers, N-FP, with the relationship T-FP (K) = 23.369N(FP)(2/3) + 20.010N(FP)(1/3) + 31.901 In turn, the N-FP values can be predicted from experimental boiling point numbers (Y-BP) and molecular structure with the equation N-FP = 0.987 Y-BP + 0.176D + 0.687T + 0.712B - 0.176 where D is the number of olefinic double bonds in the structure, T is the number of triple bonds, and B is the number of aromatic rings. For a data set consisting of 300 diverse hydrocarbons, the average absolute deviation between the literature and predicted flash points was 2.9 K.

引用

页码：4854 / 4856

页数：3

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