Evaluation of optimal activity coefficient models for modeling and simulation of liquid-liquid equilibrium of biodiesel plus glycerol plus alcohol systems

被引：26
作者：
do Carmo, Frederico R. [1 ]
Evangelista, Nathan S. [1 ]
de Santiago-Aguiar, Rilvia S. [1 ]
Fernandes, Fabiano A. N. [1 ]
de Sant'Ana, Hosiberto B. [1 ]
机构：
[1] Univ Fed Ceara, Dept Engn Quim, Grp Pesquisa Termofluidodinam Aplicada, BR-60455760 Fortaleza, CE, Brazil
来源：
FUEL | 2014年 / 125卷
关键词：
Liquid-liquid equilibrium; Activity coefficient model; Biodiesel-glycerol-alcohol systems; Parameter estimation; PHASE-EQUILIBRIUM; TERNARY MIXTURES; METHYL OLEATE; FATTY-ACIDS; SOYBEAN OIL; OLEIC-ACID; CANOLA OIL; 313.15; K; ETHANOL; PREDICTION;
D O I：
10.1016/j.fuel.2014.01.108
中图分类号：
TE [石油、天然气工业]; TK [能源与动力工程];
学科分类号：
0807 ; 0820 ;
摘要：
Biodiesel is considered a good alternative for diesel engines, given its characteristics, for being non-toxic and for being a more environmental-friendly fuel. A liquid-liquid equilibrium (LLE), comprising biodiesel + glycerol + alcohol, occurs during the production of biodiesel. The use of reliable thermodynamics models is essential to describe biodiesel + glycerol + alcohol systems as to design and analyze the process and its equipment. In this work, experimental data of 34 different systems (27 for biodiesel + glycerol + alcohol; and 7 for methyl oleate + glycerol + methanol) were used for parameter estimation and to evaluate four of the main activity coefficient models (ASOG, UNIFAC, UNIFAC-LLE and UNIFAC-Dortmund) that could be used with biodiesel systems. Additionally, binary parameters for glycerol/methanol, methanol/methyl oleate and glycerol/methyl oleate have been estimated by NRTL and UNIQUAC models. Root mean square deviations (RMSD) have been used to compare experimental and simulated data. RMSD analysis showed that the UNIFAC-Dortmund model was the model that best represented the biodiesel liquid-liquid equilibrium. Best representation of the system followed the order: UNIFAC-Dortmund > ASOG > UNIFAC-LLE > UNIFAC > UNIQUAC > NRTL. (C) 2014 Elsevier Ltd. All rights reserved.
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收藏
页码：57 / 65
页数：9
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