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在化学团聚技术中,温度对团聚剂性质的影响至关重要。使用分子动力学模拟方法研究了温度对聚丙烯酰胺(PAM)溶液黏度的影响。密度与溶解度参数计算结果表明选取 PAM 分子的聚合度为50能够反映真实性质且计算量经济。径向分布函数结果表明PAM分子与水分子之间的氢键相互作用随着温度的升高而减弱,黏度降低。均方根位移分析表明PAM分子流动性随着温度的升高而增大,黏度降低,但温度达到573K时,PAM分子与H2O分子形成包结物,抑制了PAM分子的流动。回旋半径结果表明PAM分子的回旋半径随温度的升高先增大后减小,黏度先增大后降低。“,”Temperature is a key factor in chemical agglomeration for its noteworthy influence on the features of agglomeration solution. Molecular dynamics simulation method was used to study temperature impact on the viscosity of polyacrylamide (PAM) dilute solution. The calculation results of density and solubility parameter suggest that selecting 50 of repeat units of PAM is enough to guarantee the characteristics of PAM while saving computing time. The results of radial distribution function show that with the increase of temperature, the interaction of hydrogen bonding between PAM molecule and water molecules became weak which indicated that the viscosity of PAM dilute solution was reduced. Mean square displacement analysis was also performed. It is found that mobility of PAM molecules increased with the increase of temperature until temperature reached 573 K since inclusion complex was formed by PAM and H2O molecules, which inhibited the mobility of PAM molecular. Radius calculation clearly revealed that the swirl radius of PAM molecular as well as the viscosity of solution increased firstly then decreased with the increase of temperature.