Molecular Dynamics Simulation On The Impact Of High Voltage Electrostatic Field On Crystallization Of Calcium Carbonate Aqueous Solution

In the process of industrial production and daily life,scale deposit in water systerm caused not only enormous economic loss but also lots of serious security incidents. Over the past few decades,people have developed plenty of methods of anti-scale,one of which is use of high voltage electrostatic field. Comparing with other methods, it is more effective and more powerfrugal,also it's easier to operate.However,people have not acquainted themselves with the mechanism of anti-scaling using electrostatic field,which affected its application.In order to research the mechanism of anti-scaling using electrostatic field at micro level,and to provide academic support for the application of anti-scaling using electrostatic field,molecular dynamics simulation was used to investigate an aqueous solution of calcium carbonate system under the influence of high voltage electrostatic field in this paper. Calculation result show that:â‘ High voltage electrostatic field can partly destroy hydrogen bonds in water molecules,and also can greaten the diffusion coefficient of water molecules.Therefore,the more active water molecules are able to prevent Ca2+ from contacting CO32-.â‘¡Electrostatic field can decrease the diffusion coefficient of Ca2+ and CO32-,and increase their degree of hydration, so the probability of Ca2+ reacting with CO32- comes down.â‘¢Electrostatic field is able to weaken the binding energy between ions and calcium carbonate crystal surface, thus the growth of calcium carbonate crystal is prevented.â‘£Under the influence of high voltage electrostatic field,a Ca2+ in the surface can combine with a O atom in the hydrone by forming a electrovalent bond, consequently the electrostatic field is capable of accelerating the dissolution of calcium carbonate.