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Title: Binary interaction parameters from reacting mixture data. Supercritical biodiesel process with CO2 as cosolvent

Journal Article · · Journal of Supercritical Fluids
 [1];  [2];  [1]
  1. Polytechnic Univ. of Barcelona (Spain)
  2. National Renewable Energy Lab. (NREL), Golden, CO (United States)
+ Show Author Affiliations

A method is presented for the calculation of binary interaction parameters from reacting mixture data. The process studied is the supercritical methanol transesterification of triolein with CO2 as cosolvent. The reaction proceeds through 3 reversible reactions in series, on a solid catalyst (Nafion(R) SAC-13), for which the kinetics is known. To describe the reactor performance, the kinetic constants and the binary interaction parameters for the Peng-Robinson equation of state, are necessary, and were included in the reactor model. Previously published view-cell observations and thermodynamic calculations indicate that no condensation occurs in the reactor. Kinetic and thermodynamic parameters were determined by a global optimisation procedure. From the rate constants obtained, the process exhibits some reversibility, despite the excess of methanol used. Our methodology allows to obtain the binary interaction coefficients for the intermediate reaction species (dioleins and monooleins) that were unavailable so far. The method is sensitive to the errors in the measured concentrations.

Research Organization:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
Grant/Contract Number:
AC36-08GO28308
OSTI ID:
1470968
Report Number(s):
NREL/JA-5900-72372
Journal Information:
Journal of Supercritical Fluids, Vol. 143, Issue C; ISSN 0896-8446
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 6 works
Citation information provided by
Web of Science

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  • Lopez-Castillo, Zulema K.; Aki, Sudhir N. V. K.; Stadtherr, Mark A.
  • Industrial & Engineering Chemistry Research, Vol. 47, Issue 3 https://doi.org/10.1021/ie070105b
journal February 2008

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09 BIOMASS FUELS
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