| The water-vapor-salt model can be used in the field of researching geochemicalmechanisms as well as quantitative analysis of its physical and chemical behavior.Among all the models, one of the most practical models is solubility model, namely theliquid-vapor equilibrium model. It can be used to solve various kinds of geochemicalproblems, for instance, calculation of hydrothermal boiling point, fluid inclusionshomogenization pressure, geological immiscible fluids, fluid phase transition, gashydrate formation. Limited by the expensive test cost, geochemical researchers stillcan’t study the solubility of fluids and phase transition behavior at any temperature andpressure. Molecular dynamics simulation was carried out to study H2S-H2O-NaClsolubility in micro scale.The main content is listed as follows:1By establishing the models of vapor-liquid equilibrium, the density profiles ofhydrogen sulfide at different temperatures were simulated. At the same time, therelationship between interface thickness and temperature and the effects of interface onlocal structure of hydrogen sulfide were also investigated.2By establishing the vapor-liquid equilibrium model of binary system hydrogensulfide-water, the solubility of hydrogen sulfide in pure water as well as densities ofvarious components were calculated. The effects of temperature and pressure on thesolubility of hydrogen sulfide in pure water were investigated and the simulation resultswere compared with the experimental results.3By establishing the vapor-liquid equilibrium model of ternary system hydrogenwater-sulfide-sodium chloride, the solubility of hydrogen sulfide in aqueous solution aswell as densities of various components were calculated. The effects of temperature,pressure and sodium chloride concentration on the solubility of hydrogen sulfide inaqueous solution were investigated and the simulation results were compared with theexperimental results.4. The notable exceptions of Hofmeister effect were explained. |
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