二氧化碳对乙的选择性在三种基于甲基的离子液体中:实验数据和建模
Nadir Henni1, Amr Henni1, Hussameldin Ibrahim1
1Clean Energy Technologies Research Institute (CETRi), University of Regina, Regina, SK S4S 0A2, Canada.
Molecules (Basel, Switzerland)
|September 14, 2024
概括
这项研究测量了三种离子液体中的乙溶解度,发现[HMIM][Tf2N]具有最高的溶解度. [PMIM][Tf2N]对二氧化碳比乙具有最佳选择性,因此非常适合碳捕获应用.
科学领域:
- 化学工程是化学工程的重要组成部分.
- 材料科学 材料科学 材料科学
- 物理化学 物理化学
背景情况:
- 离子液体 (ILs) 是气体分离的有希望的溶剂,因为它们的调节性质.
- 有效地将二氧化碳 (CO2) 与乙 (C2H6) 等碳化合物分离,对于天然气加工和碳捕获至关重要.
- 了解ILs中的气体溶解度是设计有效分离过程的关键.
研究的目的:
- 测量和建模乙在三种选择的离子液体中的可溶性:1-Hexyl-3-methylimidazolium bis(trifluormethylsulfonyl) imide [HMIM][Tf2N],1-Butyl-3-methyl-imidazolium dimethyl-phosphate [BMIM][DMP],和1-Propyl-3-methylimidazolium bis(trifluoromethyl-sulfonyl) -imide [PMIM][Tf2N]中的可溶性.
- 与基准溶剂Selexol相比,评估这些ILs的CO2/C2H6选择性.
- 研究这些ILs中乙溶解的热力学方面.
主要方法:
- 使用重力度微平衡在303.15K至343.15K的温度和高达1.4MPa的压力下实验测量乙溶解度.
- 使用Peng-Robinson状态方程与范德瓦尔斯 (一和二) 和Wong-Sandler混合规则的可溶性数据的热力学建模.
- 使用COSMO-RS估计极性参数以与可溶性趋势相关联.
- 计算CO2/C2H6的选择性,并估计溶解的和.
主要成果:
- 乙溶解度排名: [HMIM][Tf2N] > [PMIM][Tf2N] > [BMIM][DMP]. 乙溶解度排名: [HMIM][Tf2N] > [PMIM][Tf2N] > [BMIM][DMP]. 乙溶解度排名: [HMIM][Tf2N] 乙溶解度排名: [HMIM][Tf2N] 乙溶解度排名: [HMIM][Tf2N] 乙溶解度排名: [HMIM][Tf2N] 乙溶解度排名: [HMIM][Tf2N] 乙溶解度排名:
- -罗宾逊模型与Wong-Sandler和van der Waals的两个混合规则显示出与实验数据的良好一致 (平均绝对偏差为2.45%).
- [PMIM][Tf2N]在研究的IL中表现出最高的CO2 / C2H6选择性,超过了Selexol.
- 亨利定律常数表示[BMIM][DMP]中乙溶解度最低.
结论:
- 研究的离子液体,特别是[PMIM][Tf2N],显示出选择性二氧化碳捕获的巨大潜力.
- [PMIM][Tf2N]被确定为需要高二氧化碳选择性和最小的乙共同吸收的应用的最佳选择.
- 实验数据和热力学建模的结合为使用离子液体的先进气体分离过程的设计提供了宝贵的见解.
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