Chinese Journal of Chemical Engineering, Vol.13, No.2, 280-284, 2005
Correlation of H-1 NMR chemical shift for aqueous solutions by statistical associating fluid theory association model
H-1 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.
Keywords:statistical associating fluid theory (SAFT);association model;NMR;chemical shift;aqueous solution