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Title: Characterization of Whole Biomasses in Pyridine Based Ionic Liquid at Low Temperature by 31P NMR: An Approach to Quantitatively Measure Hydroxyl Groups in Biomass As Their Original Structures

Abstract

In this paper, the dissolution of biomass components—cellulose, hemicellulose, and lignin, and two whole biomasses—switchgrass and poplar in a pyridine based ionic liquid at a low temperature—50°C has been examined, which will provide an opportunity to explore the original structures of biomass components. The following phosphitylation, and 31P NMR measurement could provide quantitative results for various hydroxyl groups, including aliphatic, condensed phenolic, guaiacyl phenolic, p-hydroxyl phenyl and carboxylic hydroxyl groups in the biomass components, and whole biomass. By employing various biomass model compounds (glucose, cellotriose, and cellohexose), artificial mixtures of biomass components (cellulose, hemicellulose, and lignin), and computational simulation for the assignments by using density functional theory calculation in Gaussian, reliability and accuracy of this method have been examined as well, which indicated that this method is a reliable and accurate way to quantitatively characterize five different types of hydroxyl groups in biomass and its components.

Authors:
 [1];  [1];  [2];  [1];  [2]; ORCiD logo [3]; ORCiD logo [4]
  1. Key Lab of Energy Thermal Conversion and Control of Ministry of Education, Nanjing (China); Southeast Univ., Nanjing (China)
  2. Lab. of New Fiber Materials and Modern Textile (The Growing Base for State Key Lab.), Qingdao (China); Qingdao Univ., Qingdao (China)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Biological and Environmental Research (BER) (SC-23)
OSTI Identifier:
1465026
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Frontiers in Energy Research
Additional Journal Information:
Journal Volume: 6; Journal Issue: n/a; Journal ID: ISSN 2296-598X
Publisher:
Frontiers Research Foundation
Country of Publication:
United States
Language:
English
Subject:
09 BIOMASS FUELS; ionic liquid; biomass; lignin; cellulose; hemicellulose; 31P NMR

Citation Formats

Ben, Haoxi, Chen, Xiaole, Han, Guangting, Shao, Yingjuan, Jiang, Wei, Pu, Yunqiao Joseph, and Ragauskas, Arthur Jonas. Characterization of Whole Biomasses in Pyridine Based Ionic Liquid at Low Temperature by 31P NMR: An Approach to Quantitatively Measure Hydroxyl Groups in Biomass As Their Original Structures. United States: N. p., 2018. Web. doi:10.3389/fenrg.2018.00013.
Ben, Haoxi, Chen, Xiaole, Han, Guangting, Shao, Yingjuan, Jiang, Wei, Pu, Yunqiao Joseph, & Ragauskas, Arthur Jonas. Characterization of Whole Biomasses in Pyridine Based Ionic Liquid at Low Temperature by 31P NMR: An Approach to Quantitatively Measure Hydroxyl Groups in Biomass As Their Original Structures. United States. doi:10.3389/fenrg.2018.00013.
Ben, Haoxi, Chen, Xiaole, Han, Guangting, Shao, Yingjuan, Jiang, Wei, Pu, Yunqiao Joseph, and Ragauskas, Arthur Jonas. Mon . "Characterization of Whole Biomasses in Pyridine Based Ionic Liquid at Low Temperature by 31P NMR: An Approach to Quantitatively Measure Hydroxyl Groups in Biomass As Their Original Structures". United States. doi:10.3389/fenrg.2018.00013. https://www.osti.gov/servlets/purl/1465026.
@article{osti_1465026,
title = {Characterization of Whole Biomasses in Pyridine Based Ionic Liquid at Low Temperature by 31P NMR: An Approach to Quantitatively Measure Hydroxyl Groups in Biomass As Their Original Structures},
author = {Ben, Haoxi and Chen, Xiaole and Han, Guangting and Shao, Yingjuan and Jiang, Wei and Pu, Yunqiao Joseph and Ragauskas, Arthur Jonas},
abstractNote = {In this paper, the dissolution of biomass components—cellulose, hemicellulose, and lignin, and two whole biomasses—switchgrass and poplar in a pyridine based ionic liquid at a low temperature—50°C has been examined, which will provide an opportunity to explore the original structures of biomass components. The following phosphitylation, and 31P NMR measurement could provide quantitative results for various hydroxyl groups, including aliphatic, condensed phenolic, guaiacyl phenolic, p-hydroxyl phenyl and carboxylic hydroxyl groups in the biomass components, and whole biomass. By employing various biomass model compounds (glucose, cellotriose, and cellohexose), artificial mixtures of biomass components (cellulose, hemicellulose, and lignin), and computational simulation for the assignments by using density functional theory calculation in Gaussian, reliability and accuracy of this method have been examined as well, which indicated that this method is a reliable and accurate way to quantitatively characterize five different types of hydroxyl groups in biomass and its components.},
doi = {10.3389/fenrg.2018.00013},
journal = {Frontiers in Energy Research},
number = n/a,
volume = 6,
place = {United States},
year = {2018},
month = {3}
}

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