氯硝柳胺甲基丙烯酸酯的分子动力学研究

盐城师范学院毕业论文Molecular dynamics study on niclosamidemethacrylateAbstractMaterials studio is a software for molecular dynamics simulation.Through the forceplate,the force field is set to pass.The solubility parameters of methyl chloronitramidemethacrylate,water,methanol and ethanol were compared.In the laboratory,The simulationdata were consistent with experimental results.Through molecular dynamics simulationexperiments,the results show that the solubility parameters of niclosamide methacrylate aresimilar to those of methanol and ethanol,about 22 to 30,while the solubility parameters ofwater are about 46,which is quite different from the other three types.Therefore,niclosamidemethacrylate is easily compatible with methanol and ethanol.[Key words]Molecular dynamics simulation;Niclosamide;methyl methacrylate;Solubility parameter.