New association scheme for 1-alcohols in alcohol/water mixtures with sPC-SAFT: The 2C association scheme
作者： Adriaan J. de Villiers , Cara E. Schwarz , Andries J. Burger
DOI: 10.1021/IE200521K
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摘要: A new association scheme for sPC-SAFT, denoted as 2C, is presented more-accurate predictions of 1-alcohol/water phase equilibria than with the 2B or 3B schemes. This 2C consists one bipolar site and negative electron donor a combination 1A 2B/3B The performance evaluated compared to schemes by modeling vapor–liquid liquid–liquid alcohol/water, alcohol/alcohol alcohol/alkane mixtures. Liquid–liquid multicomponent systems are also considered. Compared sPC-SAFT schemes, sPC-SAFT-2C provides improved investigated alcohol/water systems, well water/alcohol/alkane water/alcohol/alcohol ternary systems. However, slight deterioration in prediction binary observed s...
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