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Correlation of ^1H NMR Chemical Shift for Aqueous Solutions by Statistical Associating Fluid Theory Association Model 被引量:2

Correlation of ~1H NMR Chemical Shift for Aqueous Solutions by Statistical Associating Fluid Theory Association Model
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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.
出处 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 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).
关键词 Statistical associating fluid theory (SAFT) association model NMR chemical shift aqueous solution 核磁共振技术 水溶液 氢键 敏感性 温度 热力学性质
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  • 1J. F. Coetzee,A. Hussam. Nuclear magnetic resonance study of speciation of water at low concentrations in hydrogen bond acceptor solvents[J] 1982,Journal of Solution Chemistry(6):395~407
  • 2雷毅,李浩然,朱龙华,韩世钧.DMF—H2O缔合体系的^1H NMR研究[J].化学学报,2002,60(10):1747-1753. 被引量:9

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