Modeling of electro-organic synthesis to facilitate cleaner chemical manufacturing: Adiponitrile production
| Autor: | Terdthai Vatanatham, Sunun Limtrakul, Palghat A. Ramachandran, Piyachat Suwanvaipattana |
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| Rok vydání: | 2017 |
| Předmět: |
Chemical substance
010405 organic chemistry Renewable Energy Sustainability and the Environment Chemistry Strategy and Management Batch reactor 02 engineering and technology 021001 nanoscience & nanotechnology Adiponitrile 01 natural sciences Industrial and Manufacturing Engineering 0104 chemical sciences chemistry.chemical_compound Chemical engineering Scientific method Mass transfer Process optimization Organic synthesis Acrylonitrile 0210 nano-technology General Environmental Science |
| Zdroj: | Journal of Cleaner Production. 142:1296-1308 |
| ISSN: | 0959-6526 |
| Popis: | Electro-organic synthesis provides more efficient and green technologies for the production of many traditional chemicals. Production of adiponitrile via an electrochemical process is one example of electro-organic synthesis which has been successfully adopted as one of a few commercial electro-organic syntheses. Sustainability metrics indicate the merits of the process compared to the hydrocynation process but suggest a need to improve the energy efficiency of the process. Further development and process optimization require a comprehensive mathematical model for electrohydrodimerization process. In order to develop an accurate model, the mechanistic multistep model is needed. The mechanism of electrohydrodimerization of acrylonitrile to adiponitrile is complex, as it consists of many multiple reactions with series and parallel reactions occurring simultaneously, thus making the modeling complicated. The bi-phasic nature of the system with organic and aqueous phases needs incorporation of the liquid–liquid mass transfer effects as well. This work develops a mathematical model for the electrohydrodimerization of acrylonitrile to adiponitrile in a batch reactor. Electrochemical and chemical reactions and diffusion in an aqueous liquid film surrounding the electrode, with mass transfer between aqueous and dispersed organic phases, are included in the model. The diffusion–reaction equations for the film model are solved by boundary element method. The results show the calculated concentration in both phases, selectivity of the main product and by-products, voltage and current. In addition, the effects of operating parameters on the selectivity of adiponitrile have been examined in detail. |
| Databáze: | OpenAIRE |
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