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

Abhijit Dutta, Maarit Iisa, Louis Jasperson, Rubin McDougal, Vladimir Diky, Eugene Paulechka, Robert Chirico, Kenneth Kroenlein

Research output: Contribution to journalArticlepeer-review

10 Scopus Citations


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 waterrich 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.

Original languageAmerican English
Pages (from-to)243-252
Number of pages10
JournalJournal of Chemical and Engineering Data
Issue number1
StatePublished - Jan 2017

Bibliographical note

Publisher Copyright:
© 2017 American Chemical Society.

NREL Publication Number

  • NREL/JA-5100-66653


  • biomass
  • catalytic
  • fast pyrolysis


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