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J Phys Chem A. 2017 Jun 22;121(24):4658-4677. doi: 10.1021/acs.jpca.7b02639. Epub 2017 Jun 09.

Thermal Decomposition of Potential Ester Biofuels. Part I: Methyl Acetate and Methyl Butanoate.

The journal of physical chemistry. A

Jessica P Porterfield, David H Bross, Branko Ruscic, James H Thorpe, Thanh Lam Nguyen, Joshua H Baraban, John F Stanton, John W Daily, G Barney Ellison

Affiliations

  1. Chemical Sciences and Engineering Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.
  2. Computation Institute, The University of Chicago , Chicago, Illinois 60637, United States.
  3. Department of Chemistry, University of Texas , Austin, Texas 78712, United States.
  4. Department of Chemistry, University of Florida , Gainesville, Florida 32611, United States.

PMID: 28517940 DOI: 10.1021/acs.jpca.7b02639

Abstract

Two methyl esters were examined as models for the pyrolysis of biofuels. Dilute samples (0.06-0.13%) of methyl acetate (CH

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