Molecular Modeling to Increase Kraft Pulp Yield

Technical Report · Tue Sep 01 04:00:00 EDT 2020

DOI:https://doi.org/10.2172/2229239· OSTI ID:2229239

Knott, Brandon ^[1]; Parks, Jerry M. ^[2]; van Heiningen, Adriaan ^[3]; Turpin, David B. ^[4]; Cooper, Connor ^[2]; Mou, Zhongyu ^[2]

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1. National Renewable Energy Laboratory (NREL), Golden, CO (United States)
2. Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
3. Univ. of Maine, Orono, ME (United States)
4. Alliance for Pulp and Paper Technology Innovation (APPTI), Washington, DC

Kraft pulping is an important component of the pulp and paper industry and is the predominant technology for removing lignin from wood carbohydrates. However, kraft pulping is energy-intensive, expensive, and is limited by the degradation of cellulose and hemicellulose. Pretreatment increases yield by stabilizing cellulose against degradation. However, protection of galactoglucomannan (GGM), the primary hemicellulose component of softwood, is minimal when conventional pretreatments are used. Here we investigate the effectiveness of new pretreatment methods on southern pine wood chips under a range of experimental conditions. If successful, improved pretreatment methods will increase carbohydrate yield, reduce waste, reduce energy use, lower the cost of bleaching, and decrease the cost of air emission controls. The purpose of this CRADA was to combine industrial expertise in wood pulping with national laboratory expertise in high-performance computing, leading to improved understanding of molecular-scale processes that limit carbohydrate yield during pretreatment and pulping. A combined computational and experimental approach was used to investigate pretreatment effectiveness under relevant pulping conditions and then use molecular simulation techniques to provide complementary insight into structural and chemical factors that govern the observed behavior. In this report we summarize the accomplishments of the project.

• Research Organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Alliance for Pulp and Paper Technology Innovation (APPTI), Washington, DC
• Sponsoring Organization: USDOE Office of Energy Efficiency and Renewable Energy (EERE)
• DOE Contract Number: AC05-00OR22725
• OSTI ID: 2229239
• Report Number(s): ORNL/TM--2020/1765; CRADA/NFE-18-07409; NFE-18-07409
• Country of Publication: United States
• Language: English

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59 BASIC BIOLOGICAL SCIENCES