Liquid–Liquid Equilibrium Measurements for Model Systems Related to Catalytic Fast Pyrolysis of Biomass

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• 作者：Louis V. Jasperson ; Rubin J. McDougal ; Vladimir Diky ; Eugene Paulechka ; Robert D. Chirico ; Kenneth Kroenlein ; Kristiina Iisa ; Abhijit Dutta
• 刊名：Journal of Chemical & Engineering Data
• 出版年：2017
• 出版时间：January 12, 2017
• 年：2017
• 卷：62
• 期：1
• 页码：243-252
• 全文大小：444K
• ISSN：1520-5134

文摘

We report liquid–liquid mutual solubilities for binary aqueous mixtures involving 2-, 3-, and 4-ethylphenol, 2-, 3-, and 4-methoxyphenol, benzofuran, and 1H-indene for the temperature range (300 < T/K < 360). Measurements in the water-rich phase for (2-ethylphenol + water) and (4-ethylphenol + water) were extended to T = 440 K and T = 380 K, respectively, to facilitate comparison with literature values. Liquid–liquid equilibrium tie-line determinations were made for four ternary systems involving (water + toluene) mixed with a third component: phenol, 3-ethylphenol, 4-methoxyphenol, or 2,4-dimethylphenol. Literature values at higher temperatures are available for the three (ethylphenol + water) systems, and in general, good agreement is seen. The ternary system (water + toluene + phenol) has been studied previously with inconsistent results reported in the literature, and one report is shown to be anomalous. All systems are modeled with the predictive methods NIST-modified-UNIFAC and NIST-COSMO-SAC, with generally good success (i.e., within 0.05 mole fraction) in the temperature range of interest (300 < T/K < 360). This work is part of a larger project on the testing and development of predictive phase equilibrium models for compound types occurring in catalytic fast pyrolysis of biomass, and background information for that project is provided.