温度对聚丙烯酰胺稀溶液黏度影响的分子动力学模拟.pdfVIP

第 35 卷 第 23 期 中 国 电 机 工 程 学 报 Vol.35 No.23 Dec.5, 2015 2015 年 12 月 5 日 Proceedings of the CSEE ©2015 Chin.Soc.for Elec.Eng. 6099 DOI ：10.13334/j.0258-8013.pcsee.2015.23.017 文章编号：0258-8013 (2015) 23-6099-06 中图分类号：X 51 温度对聚丙烯酰胺稀溶液黏度影响的 分子动力学模拟 洪迪昆，刘亮，郭欣 (煤燃烧国家重点实验室(华中科技大学) ，湖北省 武汉市 430074) Molecular Dynamics Simulation of Temperature Impact on the Viscosity of Polyacrylamide Dilute Solution HONG Dikun, LIU Liang, GUO Xin (State Key Lab of Coal Combustion (Huazhong University of Science and Technology), Wuhan 430074, Hubei Province, China) ABSTRACT: Temperature is a key factor in chemical 回旋半径随温度的升高先增大后减小，黏度先增大后降低。 agglomeration for its noteworthy influence on the features of 关键词：化学团聚；分子动力学；聚丙烯酰胺；黏度；PM2.5 agglomeration solution. Molecular dynamics simulation method was used to study temperature impact on the viscosity of 0 引言 polyacrylamide (PAM) dilute solution. The calculation results of density and solubility parameter suggest that selecting 50 of 目前，煤炭资源仍然是我国最主要的化石燃 repeat units of PAM is enough to guarantee the characteristics of 料。燃煤排放的大量细颗粒物(PM2.5)是我国大气污 PAM while saving computing time. The results of radial 染的主要来源之一，不仅诱发气候变化，导致雾霾 distribution function show that with the increase of temperature, 和臭氧层破坏，还会对人类健康带来危害[1-2] ；主要 the interaction of hydrogen bonding between PAM molecule and 是由于 PM2.5 具有较大比表面积、易富集各种有毒 water molecules became weak which indicated that the viscosity of PAM dilute solution was reduced. Mean square displacement 物质等特性[3] 。通过物理化学作