An improved model for the calculation of CO2 solubility in aqueous solutions containing Na+,K+,Ca2+,Mg2+,Cr,and SO42-
会议名称：《中国科学院地质与地球物理研究所2006学术年会》
会议日期：2007年
学科分类：070902[理学-地球化学] 0709[理学-地质学] 07[理学]
关 键 词：CO2 solubility Aqueous solution CO2 sequestration Fluid flow simulation
摘 要：An improved model is presented for the calculation of the solubility of carbon dioxide in aqueous solutions containing Na,K,Ca,Mg,Cl,and SO in a wide temperature-pressure-ionic strength range(from 273 to 533 K,from 0 to 2000 bar,and from 0 to 4.5 molality of salts) with experimental *** improvements over the previous model [Duan,*** Sun,R.,*** improved model calculating CO solubility in pure water and aqueous NaCl solutions from 273 to 533K and from 0 to 2000 *** Geology,193: 257-271]include:(1) By developing a non-iterative equation to replace the original equation of state in the calculation of CO fugacity coefficients,the new model is at least twenty times computationally faster and can be easily adapted to numerical reaction-flow simulator for such applications as CO sequestration and(2) By fitting to the new solubility data,the new model improved the accuracy below 288 K from 6%to about 3%of uncertainty but still retains the high accuracy of the original model above 288 *** comprehensively evaluate all experimental CO solubility *** with these data,this model not only reproduces all the reliable data used for the parameterization but also predicts the data that were not used in the *** order to facilitate the application to CO sequestration,we also predicted CO solubility in seawater at two-phase coexistence(vapor-liquid or liquid-liquid) and at three-phase coexistence (CO hydrate-liquid water-vapor CO[or liquid CO]).The improved model is programmed and can be downloaded from the website http://***/***.