在离子液体上进行过程模拟和优化
Jose Palomar1, Jesús Lemus1, Pablo Navarro1
1Chemical Engineering Department, Autonomous University of Madrid, Calle Tomás y Valiente 7, 28049 Madrid, Spain.
Chemical reviews
|February 6, 2024
概括
工艺模拟通过指导实验研究和工业扩展来加速离子液体 (IL) 应用的发展. 这种混合方法提高了基于IL的技术的成本效益和可持续性.
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
- 计算化学的计算化学
背景情况:
- 离子液体 (ILs) 为可持续技术提供独特的溶剂和催化剂特性.
- 综合产品和工艺设计对于工业规模的IL应用至关重要.
- 多规模的研究和数字工具正在将开发从实验转向混合方法.
研究的目的:
- 审查过程模拟在推动基于IL的技术开发中的作用.
- 突出模拟如何指导实验努力,并提高工业转让性.
- 为了证明模拟导向研究对IL应用的影响.
主要方法:
- 审查了300多篇关于IL应用过程模拟的研究论文.
- 在Aspen Plus软件中应用预测模型 (COSMO-SAC/RS,UNIFAC).
- 分析各种IL应用,包括二氧化碳捕获,分离和生物提炼.
主要成果:
- 过程模拟为IL选择提供了标准,并优化了操作单元.
- 模拟促进了基于IL的过程的技术经济和环境分析.
- 混合实验计算策略加速了IL技术的发展.
结论:
- 过程模拟对于将IL应用从实验室推向工业规模至关重要.
- 由模拟指导的多尺度研究策略克服了IL的局限性,并利用了IL的特性.
- 模拟驱动的发展促进了信息技术的竞争力和可持续性.
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