从棉花纤维素中分离纳米纤维素及其结构的计算机模拟

A. Atakhanov, I. Turdikulov, Burhon Mamadiyorov, N. Abdullaeva, I. Nurgaliev, Yunusov Khaydar, S. Rashidova
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引用次数: 2

摘要

纳米纤维素是一类新型的纤维素衍生物,具有结晶度高、比表面积大、分散程度高、易被微生物分解等特点。纳米纤维素的制备及其在高分子材料、生物降解材料、纸张助剂、凝血分散剂等方面的应用是目前备受关注的问题。在基础纤维素上获得纳米级纳米结构的颗粒,研究其形成、性质的过程,并在此基础上创造纳米技术,为获得具有独特性能的材料提供了机会。以棉花纤维素为原料,经硫酸水解、超声分散和微波辐照制备纳米纤维素。采用原子力显微镜、红外光谱、x射线等方法研究了纳米纤维素的性质和结构。纳米纤维素根据合成条件的不同,可分为长50 ~ 300nm、直径10 ~ 40nm的棒状和大小为50 ~ 300nm的球形。利用量子化学方法计算纳米纤维素的电子特性;给出了HOMO和LUMO之间能量差的变化,表明了反应性的变化和特定性质的表现。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Isolation of Nanocellulose from Cotton Cellulose and Computer Modeling of Its Structure
Nanocellulose is a new class of derivatives of cellulose, which is characterized by high crystallinity, surface area, degree of dispersion, ability to decomposition by microorganisms and etc. There is high attention solving problems of obtaining nanocellulose and its application as high quality filler for polymers, biodegradable materials, additives for papers, clotting dispersion and etc. Obtaining of particles of nanosized nanostructure on the base cellulose, studying of processes of their formation, properties and creation nanotechnology on this basis give the chance to obtain materials with unique properties. In this work nanocellulose was obtained from cotton cellulose by hydrolysis with sulfuric acid, ultrasonic dispersion and microwave irradiation. The properties and structure of nanocellulose are investigated by AFM, IR-spectroscopic, X-ray methods. Nanocellulose has rod-like shape with sizes 50 - 300 nm in length and 10 - 40 nm in diameters and spherical shape with sizes 50 - 300 nm depending on the synthesis conditions of obtaining. Quantum-chemical methods have been used to calculate the electronic characteristics of nanocellulose; the change in the energy difference between HOMO and LUMO is shown, showing the change in reactivity and the manifestation of specific properties.
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