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运用含氢键缔合的格子流体状态方程(LFHB),仅用一个参数关联了一元醇-惰性溶剂共17个体系29套1HNMR化学位移数据.并且用关联参数成功预测了不同温度下丁醇+环己烷的化学位移.所得结果与化学缔合理论的结果进行了比较.对于某些体系在稀浓度范围LFHB的计算氢键缔合度要低于化学缔合理论的结果.并且分析了LFHB理论中的物理参数和化学参数对于缔合度计算的不同影响.
By using the equation of state of lattice fluid associated with hydrogen bonds (LFHB), only one parameter was used to correlate 29 sets of 1HNMR chemical shift data from 17 systems of monool-inert solvents and the related parameters were used to predict the kinetics of butanol + Cyclohexane chemical shift.The results were compared with the results of chemical association theory.For some systems in the concentration range of LFHB calculated hydrogen bonding degree is lower than the results of chemical association theory and analysis of the LFHB theory The different effects of physical and chemical parameters on the calculation of association degree.