摘要
被称之为绿色纤维的Lyocell纤维,其成功开发的基础在于纤维素溶剂N-甲基吗啉-N-氧化物(NMMO)的发现。尽管在发现初期,就有人根据溶解现象和实验证实纤维素在NMMO水溶液中的溶解过程是一个大分子间氢键被破坏的物理过程,但人们对其溶解机理的认识还是经历了一个长期的过程。以往的实验方法局限于纤维素分子与溶剂分子间弱相互作用的研究,随着计算机技术的发展,分子模拟的方法填补了这一空白,使纤维素的溶解机理得到了新的认识,例如纤维素分子和NMMO分子的两亲性,以及疏水缔合相互作用。纤维素溶解机理的深入认识不仅可以促进Lyocell过程稳定性、溶剂回收效率的提升,还会为新溶剂的开发奠定理论基础。本文从NMMO的认识过程、纤维素在NMMO水溶液中溶解过程的实验发现和分子模拟计算等方面,全面总结和理解纤维素在NMMO水溶液中的溶解机理。
As one of the environmentally friendly fibers, the development of Lyocell fiber is based on the discovery of aqueous N-methylmorpholine-N-oxide(NMMO) solution as a good solvent for cellulose. Although at the early stage, the dissolution of cellulose in aqueous NMMO solution has been confirmed to be an entirely physical process by destroying the hydrogen bonds between cellulose macromolecules based on the dissolving phenomenon and experimental data, the understanding of the dissolving mechanism of cellulose in aqueous NMMO solution is still a long process. With the development of computer technology, the molecular simulation method has filled the field of weak interactions between cellulose molecule and solvent molecule, which makes the dissolution mechanism of cellulose get a new understanding, for example, the discovery of the amphiphilic of the solvent and cellulose molecules and the hydrophobic association interactions. The further understanding of cellulose dissolution mechanism can not only improve the stability of Lyocell process and solvent recovery efficiency, but also lay a theoretical foundation for the development of new solvents. In this paper, the dissolution mechanism of cellulose in aqueous NMMO solution is comprehensively summarized from the aspects of the cognition process of NMMO, experimental discovery and molecular simulation of the dissolution process.
作者
靳宏
崔世强
张玉梅
JIN Hong;CUI Shi-qiang;ZHANG Yu-mei(State Key Laboratory for Modification of Chemical Fibers and Polymer Materials,College of Material Science and Engineering,Donghua University,Shanghai 201620,China)
出处
《高分子通报》
CAS
CSCD
北大核心
2021年第5期29-37,共9页
Polymer Bulletin
基金
国家自然科学基金(51773032)。
