基于量子化学的有机朗肯循环工质筛选策略研究
DOI:
https://doi.org/10.18686/cncest.v2i2.106关键词:
有机朗肯循环；工质筛选；热力学；量子化学摘要
工质筛选是研究有机朗肯循环发电系统的关键内容之一。由于工质的种类多、组分结构复杂，增大了工质筛选难度。本文从工质热力学物性角度入手，开展工质筛选策略研究，提出以对比理想气体热容判定因子为依据，定量判断工质的干湿特性。当判断因子>1时为干工质，当判断因子<1时为湿工质，23种工质的计算数据和文献数据的对比结果表明，该判断因子的计算结果具有可靠性。提炼出“三步法”初步筛选策略用于有机朗肯循环的工质筛选，该策略包含工质基础物性分析、干湿特性的研究、量子化学分析，该筛选策略从微观和宏观角度解释了有机朗肯循环系统工质筛选的机理，为有机朗肯循环工质的构效关系研究奠定基础。
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