恒定磁场阻垢除垢的分子动力学模拟  

Molecular Dynamics Simulations of Magnetic Field Scale Inhibition and Descaling

作　　者：熊兰[1] 陈加鹏[1] 屈涌杰[2] 杨子康[1] 李俊伟[1] 何为[1] 

机构地区：[1]重庆大学输配电装备及系统安全与新技术国家重点实验室,重庆400030 [2]重庆航天职业技术学院电子工程系,重庆400021

出　　处：《高电压技术》2015年第5期1603-1609,共7页High Voltage Engineering

基　　金：国家自然科学基金(51077139);中央高校基本科研业务基金(CDJZR12110027)~~

摘　　要：磁场的阻垢除垢机理研究不足阻碍了该法的实际应用。为了进一步认识恒定磁场的阻垢除垢机理,研究了不同磁感应强度、不同温度下的阻垢除垢效果。建立模型A和模型B,其中模型A是含少量钙离子和碳酸根离-子的水溶液,模型B是包含方解石(110)晶面与水接触的混合体系。用分子动力学软件Material Explorer 5.0研究在改变磁感应强度和体系温度下,模型A、B分别表现出的阻垢除垢效果。结果表明:对于模型A,只有温度<323 K时,磁场的作用下才能表现出阻垢效果,而且磁感应强度与模型温度的不同组合会导致3种趋势:阻垢、促垢、无变化。对于模型B,在磁感应强度与温度改变多次组合后,并未发现有导致水垢被溶解的情形。由此可得恒定磁场的除垢效果缺乏机理的支撑。Lack of research on the scale inhibition mechanism of scale removal field hinders the practical application of the method. To further study the mechanism of scale inhibition and descaling of the magnetic field, we studied the effects of scale inhibition and scale removal under different magnetic induction intensity and temperature. Meanwhile, models A and B were built. Model A is a water solution containing a small amount of calcium and carbonate ions, and model B is a hybrid system containing calcite （110） crystal surface and water. The scale inhibition and descaling effects of model A and B under the changing magnetic induction intensity and system temperature were studied with the molecular dynamics software-Material Explorer 5.0. The results show that model A shows the scale inhibition effect under magnetic field when the system temperature is under 323 K, and different combinations of magnetic induction intensity and the temper- ature of the model will lead to 3 kinds of trends： inhibiting the scale, promoting scale, no change. With different combinations of magnetic induction intensity and the temperature of model B, magnetic field takes no action on descaling effect. It can be concluded that the descaling effect under constant magnetic field lack the mechanism support.

关 键 词：磁场阻垢 磁场除垢 分子动力学 径向分布函数 峰值坐标 峰值强度 Material EXPLORER 

分 类 号：TQ085.4[化学工程] O441[理学—电磁学]