吸附環(huán)型高分子單鏈的彈性行為研究

應(yīng)用物理學(xué)論文編號(hào):WLX063  字?jǐn)?shù):6965,頁(yè)數(shù):18

 
目   錄
摘     要 i
Abstract ii
目   錄 iii
第一章  緒論 1
1.1 高分子研究及意義 1
1.1.1高分子的發(fā)展 1
1.1.2高分子的理論研究 1
1.1.3高分子的實(shí)驗(yàn)研究 2
1.2 國(guó)內(nèi)外的研究現(xiàn)狀 2
1.3本論文的主要內(nèi)容 3
第二章  模型和方法 4
2.1 吸附環(huán)型高分子鏈的計(jì)算模型 4
2.2 結(jié)構(gòu)參數(shù)計(jì)算 5
2.2.1 均方回轉(zhuǎn)半徑 5
2.2.2 形狀因子 5
2.2.3 吸附分?jǐn)?shù) 6
第三章  結(jié)果分析 7
3.1 均方回轉(zhuǎn)半徑 7
3.2 形狀因子 9
3.3 吸附分?jǐn)?shù) 10
3.4 自由能 11
3.5彈力 12
第四章 結(jié)論 13
致  謝 14
參考文獻(xiàn) 15

摘     要

 本文主要介紹了高分子科學(xué)發(fā)展的意義、歷程以及目前國(guó)內(nèi)外研究的發(fā)展?fàn)顩r，用簡(jiǎn)立方格子模型和完全計(jì)算法，通過fortran編程統(tǒng)計(jì)表面吸附的環(huán)型高分子鏈的結(jié)構(gòu)和力學(xué)性質(zhì)，對(duì)表面吸附的環(huán)形高分子鏈進(jìn)行統(tǒng)計(jì)分析。在吸附物理模型下, 采用模擬方法，獲得環(huán)型高分子單鏈的彈性行為的一些參數(shù)，如均方回轉(zhuǎn)半徑、形狀因子、平均每個(gè)鍵的能量、平均自由能和吸附分?jǐn)?shù)等，畫出這些參數(shù)在拉伸過程中的曲線，并進(jìn)行了分析，得出吸附環(huán)型高分子單鏈在拉伸過程中的結(jié)構(gòu)與性質(zhì)變化，如對(duì)環(huán)型高分子鏈的解吸附行為的分析，從而初步了解高分子的結(jié)構(gòu)與性能、行為的密切聯(lián)系，對(duì)更深入研究高分子打下了基礎(chǔ)。
 
關(guān)鍵詞：表面吸附  環(huán)型高分子鏈  完全計(jì)算法  彈性行為

Abstract

 This article gives an overview of the significance of polymer science, course and the development of current researches at home and abroad. This work studies the structure and mechanical properties of adsorbed ring polymer chain using fortran calculating, based on the simple cubic lattice model and enumeration calculation method. The adsorbed ring polymer chains have special performance and behavior because of its special structure. During the process, the structures and properties are materialized by some parameters, such as mean-square radii of gyration, shape factor, average energy, free energy and adsorption fraction, etc. The changes in structure and property of the adsorbed polymer chain, such as desorption behavior, during the stretching process are gained by analysing the curves of those parameters. In that case, we can simply understand the relationship between the structure and the function of ring polymer. It sets up a basic for further study.

Keywords:  absorption of surface; ring polymer chains; enumeration calculation method; elastic behavior