本論文探討綠色化學製程中之非光氣程序,進行反應路徑合成之個案研究,其一是殺蟲劑農藥-Carbaryl;其二是含氧油料的替代物-碳酸二甲酯的反應路徑及化工程序合成與設計。首先討論八種生產Carbaryl和五種生產碳酸二甲酯的路徑,比較其熱力學方面的自發性和平衡組成、安全性等諸多因素,發現以甲胺、萘酚、一氧化碳、氧氣為原料生產Carbaryl及碳酸二甲酯的甲醇氧羰化法為最適合的路徑,接著對此生產碳酸二甲酯路徑進行設計及整合。研究中亦結合狹點技術與換熱器網路原理,以節省能源使用量。 論文中主要使用兩套程序軟體,Aspen Plus主要進行碳酸二甲酯製程模擬部分;SuperTarget則進行製程之狹點分析及換熱器網路合成,使其有效的完成碳酸二甲酯製程之熱能整合。 In this thesis, we explore the reaction paths for non-phosgene processes to be used in the green chemical industry. Two case studies were investigated. One is the insecticide--Carbaryl; the other is the production of DMC (dimethyl carbonate) -- a candidate to replace MTBE as an oxygenate fuel additive. Firstly, eight synthesis paths of Carbaryl and five synthesis paths of DMC were proposed. Secondly, the thermodynamic constraints in regard to spontaneity, effluent composition and process safety, were provided. As such, we found that carbon monoxide and oxygen (that is, oxy-carbonylation) as raw materials to produce Carbaryl and dimethyl carbonate are excellent reaction path. In the second case study of DMC, we also use pinch technology so as to implement the heat exchanger network synthesis, thus reducing the energy usage. Two kinds of software were utilized in the research. While “Aspen Plus” was mainly used for the process simulation, “SuperTarget” was used to carry out the pinch analysis and the synthesis of heat exchanger network.