Modeling of straw lignin molecule

Author

Dong, Changqing ; He, Lei ; Zhang, Junjiao ; Jiang, Dalong ; Yang, Yongping

Author_Institution

Nat. Eng. Lab. of Biomass Power Generation Equip., North China Electr. Power Univ., Beijing, China

fYear

2009

fDate

6-7 April 2009

Firstpage

1

Lastpage

5

Abstract

The pyrolysis of straw was one of the important ways for biomass utilization. Chemical structure of straw lignin had great impact on the decomposition process of straw. In this paper, lignin molecule was modeled with an average structure method and optimized with Density Functional Theory (DFT). The most stable conformations of structural units and structural model of straw lignin were obtained by the optimizing calculation.

Keywords

chemical structure; density functional theory; molecular configurations; polymers; pyrolysis; renewable materials; DFT; average structure method; biomass utilisation; density functional theory; lignin structural unit conformation; optimisation; straw decomposition process; straw lignin chemical structure; straw lignin molecule modeling; straw pyrolysis; Alcoholism; Biological materials; Biomass; Chemical processes; Density functional theory; Helium; Magnetic materials; Nuclear magnetic resonance; Optimization methods; Power generation; lignin; straw; structural model;

fLanguage

English

Publisher

ieee

Conference_Titel

Sustainable Power Generation and Supply, 2009. SUPERGEN '09. International Conference on

Conference_Location

Nanjing

Print_ISBN

978-1-4244-4934-7

Type

conf

DOI

10.1109/SUPERGEN.2009.5348039

Filename

5348039