화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2008년 가을 (10/23 ~ 10/24, 부산 BEXCO)
권호 14권 2호, p.3178
발표분야 열역학
제목 Prediction of Solubility ofSolids in Supercritical Solvents using a Combined Crossover Lattice Equation of State - Molecular Dynamics Approach
초록 In the present study, the crossover lattice equation of state was employed to calculate the solubulities of solids in supercritical solvents over a wide range of pressure and temperatures. The characteristic parameters of the pure components, appearing in the original sanchez-lacombe equation of state, were estimated using a molecular dynamic procudure (MD). The theoretically calculated solubilities were found to be in excellent agreement with the corresponding experimentally measured values, demonstrating the capability of the xLF EOS to predict the solubility of solids in supercritical solvents.
저자 이용진, 신문삼, 김화용
소속 서울대
키워드 supercritical; co2; crossover; molecular dynamic; simulation
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