Molecular Modeling to Increase Kraft Pulp Yield: Cooperative Research and Development Final Report, CRADA Number CRD-18-00782

Research output: NRELTechnical Report

Abstract

The purpose of this CRADA is to combine industrial expertise in wood pulping with national laboratory expertise in high-performance computer simulation to gain fundamental understanding of softwood pretreatment required to improve the efficiency of kraft pulping.
Original languageAmerican English
Number of pages24
StatePublished - 2021

NREL Publication Number

  • NREL/TP-2800-79017

Keywords

  • biomass
  • carbohydrate
  • cellulose
  • CRADA
  • density functional theory
  • hemicellulose
  • high performance computing (HPC)
  • kraft pulping
  • methyl mercaptide molecular modeling
  • molecular dynamics
  • pretreatment
  • quantum mechanics

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