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Prediction of binary interaction coefficient and critical parameters of cholesterol in supercritical carbon dioxide

机译:超临界二氧化碳中胆固醇二元相互作用系数和临界参数的预测

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In this work, the cholesterol concentration in the supercritical (SC) CO2, under working conditions, is calculated by implementing the modified Peng Robinson equation of state (EoS) combined with the Van Der Waals mixing rules. Here, optimisations of the interaction coefficient (k_(ij)) between solvent and solute and the solute critical parameters (i.e. critical pressure and temperature) are the main issue to get precise calculations of the dissolved mole fraction in SC CO_2.
机译:在这项工作中,通过实施改进的彭罗宾逊方程(EOS)与van der Waals混合规则相结合来计算超临界(SC)CO2中的胆固醇浓度。这里,溶剂和溶质之间的相互作用系数(K_(IJ))和溶质临界参数(即临界压力和温度)的优化是获得SC CO_2中溶解摩尔分数的精确计算的主要问题。

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