Multi-objective Bayesian optimisation of a two-step synthesis of p-cymene from crude sulphate turpentine

编号 020030805

推送时间 20210913

研究领域 林产化工 

年份 2021 

类型 期刊 

语种 英语

标题 Multi-objective Bayesian optimisation of a two-step synthesis of p-cymene from crude sulphate turpentine

来源期刊 Chemical Engineering Science

期 第308期

发表时间 20210708

关键词 Crude sulphate turpentine;  Bio-based chemicals;  Bayesian optimisation;  Reaction development;  Circular economy;  Biowaste; 

摘要 Production of functional molecules from renewable bio-feedstocks and bio-waste has the potential to significantly reduce the greenhouse gas emissions. However, the development of such processes commonly requires invention and scale-up of highly selective and robust chemistry for complex reaction networks in bio-waste mixtures. We demonstrate an approach to optimising a chemical route for multiple objectives starting from a mixture derived from bio-waste. We optimise the recently developed route from a mixture of waste terpenes to p-cymene. In the first reaction step it was not feasible to build a detailed kinetic model. A Bayesian multiple objectives optimisation algorithm TS-EMO was used to optimise the first two steps of reaction for maximum conversion and selectivity. The model suggests a set of very different conditions that result in simultaneous high values of the two outputs.?

服务人员 尚玮姣

服务院士 宋湛谦

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