A 3-DIMENSIONAL MODEL FOR LIGNOCELLULOSE FROM GYMNOSPERMOUS WOOD

被引：53

作者：

FAULON, JL ^{[1
]}

CARLSON, GA ^{[1
]}

HATCHER, PG ^{[1
]}

机构：

[1] PENN STATE UNIV,FUEL SCI PROGRAM,UNIVERSITY PK,PA 16802

来源：

ORGANIC GEOCHEMISTRY | 1994年 / 21卷 / 12期

关键词：

LIGNIN; LIGNOCELLULOSE; MOLECULAR MECHANICS; DYNAMICS SIMULATIONS;

D O I：

10.1016/0146-6380(94)90161-9

中图分类号：

P3 [地球物理学]; P59 [地球化学];

学科分类号：

0708 ; 070902 ;

摘要：

The three-dimensional characteristics of lignocellulose complexes are examined by the use of molecular mechanics and dynamics. The model created is composed of cellulose, hemicellulose, and lignin as would be present in gymnospermous wood tracheids. Molecular mechanics and dynamics show that the hemicellulose is hydrogen bonded and oriented parallel to the cellulose microfibrils. Energy minimization of lignin unite linked by the major lignin type bond reveals a helical structure. On the basis of these findings we propose a model for three-dimensional organization of lignocellulose.

引用

页码：1169 / 1179

页数：11

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