The Research Of Conductivity Properties Of Room Temperature Ionic Liquids

The room temperature ionic liquid (RTILs) is the ionic compound composed entirely of ionsnear room temperature or at room temperature. RTILs, called Environmental friendly materials,have many advantages such as low melting point, low vapor pressure, excellent electricalconductivity, nontoxicand widely electrochemical window, which make it got widespread concernin the chemical industry, and become a hot academic research object in the field of science. Inrecent years, the study range of RTILs become more and more widely, the present study focusmainly on chemistry such as organic reactions, chemical field materials chemistry, polymerchemistry and analytical chemistry. At the same time, it also shows a good momentum ofdevelopment in the field of energy environment, life sciences, and optical information andaerospace materials. However, we still unclear the basic properties of RTILs, for example, therelationship of it microscopic structure and their conductivity, it seriously hinder the practicaldeeper application of RTILs and more extensive development.This paper is raised based on such reality. Firstly, we start from computer simulation andcalculate the value of such transport parameters as the self-diffusion coefficient, electricalconductivity, etc. with computer. And then, we abstract the commonness, build the microscopicmodel, define the group model characterization parameters, derive the ion conductivity equation,calculate the ion mobility, self-diffusion coefficients, transport properties of RTILs, and finally getthe conclusion. The main jobs are as follows:(1) Computer simulation to calculate self-diffusion coefficient of concrete RTILs and transportproperties such as conductivity parameter. Using molecular dynamics simulation of RTILs transportcharacteristic parameter, to build the simulation environment, get ion velocity coordinates,calculated the density of RTILs, all azimuth shift in the middle, and according to the quantity ofthese intermediate calculated self-diffusion coefficients of several kinds of RTILs and conductivity.The simulation calculation results is accord with the experiment result, obtain more satisfactoryresults.(2) According to the results of computer simulation and experimental measurement results, themicrostructure analysis of RTILs. According to the simulation to calculate the molar conductivityerror between the measured value with the experiment, analysis the difference between thesimulation environment and real environment, it is concluded that RTILs possible clusters structure of microscopic structure.(3) Build a generic model, ion--group model, based on the characteristics of the RTILs; definethe Ion--Group’s characterization parameters such as Ion density, Group density, Group size, Activecharge, Active ion/group factors and Active charge density. Drive the Ion Conductivity Equationand build the relationships between different Ion transport properties parameters. Derive thephysical relationship between Conductivity and Active charge density, Dynamic viscosity,Ion—group density by the Dimensional Analysis. Drive the Ion transport properties parametersexpressions of carriers. And at last, verify the Conclusion with the experimental measurements andcomputer simulation results.