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Towards automation of chemical process route selection based on data mining
| Content Provider | Semantic Scholar |
|---|---|
| Author | Jacob, Philipp-Maximilian Yamin, Peyman Perez-Storey, C. Hopgood, Matthew Lapkin, Alexei A. |
| Copyright Year | 2017 |
| Abstract | A methodology for chemical routes development and evaluation on the basis of data-mining is presented. A section of the Reaxys database was converted into a network, which was used to plan hypothetical synthesis routes to convert a bio-waste feedstock, limonene, to a bulk intermediate, benzoic acid. The route evaluation considered process conditions and used multiple indicators, including exergy, E-factor, solvent score, reaction reliability and route redox efficiency, in a multi-criteria environmental sustainability evaluation. The proposed methodology is the first route evaluation based on data mining, explicitly using reaction conditions, and is amenable to full automation. |
| Starting Page | 140 |
| Ending Page | 152 |
| Page Count | 13 |
| File Format | PDF HTM / HTML |
| DOI | 10.1039/C6GC02482C |
| Volume Number | 19 |
| Alternate Webpage(s) | https://pubs.rsc.org/en/content/articlepdf/2017/gc/c6gc02482c |
| Alternate Webpage(s) | https://www.repository.cam.ac.uk/bitstream/handle/1810/261625/Jacob_et_al-2016-Green_Chemistry-VoR.pdf?isAllowed=y&sequence=1 |
| Alternate Webpage(s) | https://doi.org/10.1039/C6GC02482C |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
