中文摘要：

采用分子模拟的手段计算了3种冷却方式对DMSO（二甲基亚砜）溶液的结构的影响。3种冷却方式是依次冷却、直接冷却和两步法冷却。计算表明，采取这3种冷却方式下溶液的密度，径向分布函数（RDF），根均方偏差（RMSD），氢键数量构成以及DMSO分子的键长键角分布表现不同的特征。DMSO溶液的总氢键数目以及DMSO—H2O的空间角位置没有明显变化。DMSO分子的键长和键角具有某种相似性，DMSO-H2O的空间角位置关系也有某种相似性和取向性。

英文摘要：

Simulations were carried out structure properties. Three cooling methods, for aqueous solution of dimethyl sulfoxide （DMSO） to study cooling to target temperature via a series of temperatures,cool- ing directly to target temperature and two-step cooling method were used. The resuld indicated that in different cooling way, simulated DMSO solution＇ s density, radial distribution function, root mean squared diviation, DMSO-H2O and H2O-H2O hydrogen bond number and bond length and angle distributions of DMSO show different features. Bond length and angle distributions, total number of hydrogen bond and DMSO- H2O space angles show little change. Bond length and angle distributions of DMSO show a certain similarity whether taking any approach mentioned or at any temperature. Besides, DMSO-H2O space angles distributing plots show a certain similarity and directionality.