The calculation result of the solubility parameters of 17 organic solvents including polar, non-polar and H - bonding ones from molecular dynamics simulation was reported in this paper.

• 报道了利用分子动力学模拟手段对17种极性、非极性和氢键有机溶剂的溶解度参数进行计算的结果,并和实验值进行了对比。