离子液体在气体分离中的应用及其性能优化
摘要
离子液体作为一种新型绿色溶剂，在气体分离领域展现出独特优势，传统气体分离方法存在能耗高、效率低等问题，而离子液体具有不可燃、低挥发性、热稳定性好和结构可设计等特性，为气体分离提供了新思路。本研究旨在深入探讨离子液体在气体分离中的应用及其性能优化，通过理论计算与实验研究相结合的方法，选取多种典型离子液体，针对不同气体体系进行吸附和渗透性能测试。结果表明，特定结构的离子液体对CO2、H2S等酸性气体以及O2、N2等常见气体均表现出优异的选择性和容量，且可通过调节阴阳离子种类及侧链结构实现性能调控。创新性地提出基于量子化学计算指导离子液体分子结构设计的理念，建立了离子液体结构与气体分离性能之间的构效关系模型，实现了对目标气体高效选择性分离。该研究不仅丰富了离子液体在气体分离领域的应用理论，还为开发高性能气体分离材料提供了新途径，对于推动清洁能源利用和环境保护具有重要意义。
关键词：离子液体；气体分离；结构设计
Abstract
Ionic liquids, as a novel class of green solvents, exhibit unique advantages in gas separation, addressing the limitations of traditional methods such as high energy consumption and low efficiency. Characterized by their non-flammability, low volatility, excellent thermal stability, and tunable structure, ionic liquids offer new perspectives for gas separation. This study aims to thoroughly investigate the application and performance optimization of ionic liquids in gas separation through a combination of theoretical calculations and experimental research. Multiple representative ionic liquids were selected for testing their adsorption and permeation properties across various gas systems. The results demonstrate that ionic liquids with specific structures exhibit superior selectivity and capacity for acidic gases such as CO2 and H2S, as well as common gases like O2 and N2. Moreover, the performance can be modulated by adjusting the types of anions and cations and their side-chain structures. Innovatively, this study proposes the concept of guiding the molecular design of ionic liquids using quantum chemical calculations, establishing a structure-property relationship model between ionic liquid structure and gas separation performance, thereby achieving efficient selective separation of target gases. This research not only enriches the theoretical fr amework for the application of ionic liquids in gas separation but also provides new avenues for developing high-performance gas separation materials, which is of significant importance for promoting the utilization of clean energy and environmental protection.
Keywords：Ionic Liquid; Gas Separation; Structural Design
目 录
摘要 I
Abstract II
一、绪论 1
(一) 研究背景与意义 1
(二) 国内外研究现状 1
(三) 本文研究方法 2
二、离子液体的特性及其对气体分离的影响 2
(一) 离子液体的物理化学性质 2
(二) 离子液体与气体分子的作用机制 3
(三) 特性对气体分离效率的影响 4
三、离子液体在典型气体分离中的应用 4
(一) 氧氮分离中的应用 4
(二) 二氧化碳分离中的应用 5
(三) 氢气提纯中的应用 6
四、离子液体性能优化策略 6
(一) 结构设计与合成优化 7
(二) 温度和压力条件优化 7
(三) 添加剂对性能的影响 8
结 论 10
参考文献 11
摘要
离子液体作为一种新型绿色溶剂，在气体分离领域展现出独特优势，传统气体分离方法存在能耗高、效率低等问题，而离子液体具有不可燃、低挥发性、热稳定性好和结构可设计等特性，为气体分离提供了新思路。本研究旨在深入探讨离子液体在气体分离中的应用及其性能优化，通过理论计算与实验研究相结合的方法，选取多种典型离子液体，针对不同气体体系进行吸附和渗透性能测试。结果表明，特定结构的离子液体对CO2、H2S等酸性气体以及O2、N2等常见气体均表现出优异的选择性和容量，且可通过调节阴阳离子种类及侧链结构实现性能调控。创新性地提出基于量子化学计算指导离子液体分子结构设计的理念，建立了离子液体结构与气体分离性能之间的构效关系模型，实现了对目标气体高效选择性分离。该研究不仅丰富了离子液体在气体分离领域的应用理论，还为开发高性能气体分离材料提供了新途径，对于推动清洁能源利用和环境保护具有重要意义。
关键词：离子液体；气体分离；结构设计
Abstract
Ionic liquids, as a novel class of green solvents, exhibit unique advantages in gas separation, addressing the limitations of traditional methods such as high energy consumption and low efficiency. Characterized by their non-flammability, low volatility, excellent thermal stability, and tunable structure, ionic liquids offer new perspectives for gas separation. This study aims to thoroughly investigate the application and performance optimization of ionic liquids in gas separation through a combination of theoretical calculations and experimental research. Multiple representative ionic liquids were selected for testing their adsorption and permeation properties across various gas systems. The results demonstrate that ionic liquids with specific structures exhibit superior selectivity and capacity for acidic gases such as CO2 and H2S, as well as common gases like O2 and N2. Moreover, the performance can be modulated by adjusting the types of anions and cations and their side-chain structures. Innovatively, this study proposes the concept of guiding the molecular design of ionic liquids using quantum chemical calculations, establishing a structure-property relationship model between ionic liquid structure and gas separation performance, thereby achieving efficient selective separation of target gases. This research not only enriches the theoretical fr amework for the application of ionic liquids in gas separation but also provides new avenues for developing high-performance gas separation materials, which is of significant importance for promoting the utilization of clean energy and environmental protection.
Keywords：Ionic Liquid; Gas Separation; Structural Design
目 录
摘要 I
Abstract II
一、绪论 1
(一) 研究背景与意义 1
(二) 国内外研究现状 1
(三) 本文研究方法 2
二、离子液体的特性及其对气体分离的影响 2
(一) 离子液体的物理化学性质 2
(二) 离子液体与气体分子的作用机制 3
(三) 特性对气体分离效率的影响 4
三、离子液体在典型气体分离中的应用 4
(一) 氧氮分离中的应用 4
(二) 二氧化碳分离中的应用 5
(三) 氢气提纯中的应用 6
四、离子液体性能优化策略 6
(一) 结构设计与合成优化 7
(二) 温度和压力条件优化 7
(三) 添加剂对性能的影响 8
结 论 10
参考文献 11
