Campus Units

Chemical and Biological Engineering, NSF Engineering Research Center for Biorenewable Chemicals

Document Type

Article

Research Focus Area

Catalysis and Reaction Engineering, Renewable Energy

Publication Version

Accepted Manuscript

Publication Date

3-2016

Journal or Book Title

AIChE Journal

Volume

62

Issue

3

First Page

766

Last Page

777

DOI

10.1002/aic.15106

Abstract

Sodium ions, one of the natural inorganic constituents in lignocellulosic biomass, significantly alter pyrolysis behavior and resulting chemical speciation. Here, experiments were conducted using a micropyrolyzer to investigate the catalytic effects of NaCl on fast pyrolysis of glucose‐based carbohydrates (glucose, cellobiose, maltohexaose, and cellulose), and on a major product of cellulose pyrolysis, levoglucosan (LVG). A mechanistic model that addressed the significant catalytic effects of NaCl on the product distribution was developed. The model incorporated interactions of Na+ with cellulosic chains and low molecular weight species, reactions mediated by Na+ including dehydration, cyclic/Grob fragmentation, ring‐opening/closing, isomerization, and char formation, and a degradation network of LVG in the presence of Na+. Rate coefficients of elementary steps were specified based on Arrhenius parameters. The mechanistic model for cellulose included 768 reactions of 222 species, which included 252 reactions of 150 species comprising the mechanistic model of glucose decomposition in the presence of NaCl.

Comments

This is the peer reviewed version of the following article: Zhou, Xiaowei, Heather B. Mayes, Linda J. Broadbelt, Michael W. Nolte, and Brent H. Shanks. "Fast pyrolysis of glucose‐based carbohydrates with added NaCl part 1: Experiments and development of a mechanistic model." AIChE Journal 62, no. 3 (2016): 766-777, which has been published in final form at DOI: 10.1002/aic.15106. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions

Copyright Owner

American Institute of Chemical Engineers

Language

en

File Format

application/pdf

Published Version

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