Correlation of ^1H NMR Chemical Shift for Aqueous Solutions by Statistical Associating Fluid Theory Association Model  

作　　者：许波 李浩然 王从敏 许映杰 韩世钧 

机构地区：[1]Department of Chemistry Zhejiang University, Hangzhou 310027,China

出　　处：《Chinese Journal of Chemical Engineering》2005年第2期280-284,共5页中国化学工程学报（英文版）

基　　金：Supported by the National Natural Science Foundation of China (No. 29976035)the Natural Science Foundation of Zhejiang Provincial (No. RC01051).

摘　　要：1H NMR chemical shifts of binary aqueous mixtures of acylamide, alcohol, dimethyl sulphoxide (DMSO), and acetone are correlated by statistical associating fluid theory (SAFT) association model. The comparison between SAPT association model and Wilson equation shows that the former is better for dealing with aqueous solutions. Finally, the specialties of both models are discussed.^1H NMR chemical shifts of binary aqueous mixtures of acylamide, alcohol, dimethyl sulphoxide (DMSO), and acetone are correlated by statistical associating fluid theory (SAFT) association model. The comparison between SAFT association model and Wilson equation shows that the former is better for dealing with aqueous solutions. Finally, the specialties of both models are discussed.

关 键 词：Statistical associating fluid theory (SAFT) association model NMR chemical shift aqueous solution 

分 类 号：TQ021[化学工程]