Adhika P. Retnanto , Mark A. Stadtherr , Michael Baldea
{"title":"离子液体碳捕获与转化过程建模及敏感性分析","authors":"Adhika P. Retnanto , Mark A. Stadtherr , Michael Baldea","doi":"10.1016/j.compchemeng.2025.109390","DOIUrl":null,"url":null,"abstract":"<div><div>Integrated carbon capture and conversion (ICCC) processes convert captured CO<sub>2</sub> directly in the capture medium, avoiding the solvent regeneration, separation, and compression required in conventional capture–conversion (CCC) schemes. We present a prototype ionic liquid (IL)-based ICCC process integrated with an ethylene plant, producing methanol via <figure><img></figure> hydrogenation. A sensitivity analysis evaluates process energy use with respect to (1) CO<sub>2</sub> removal rate and (2) <figure><img></figure> conversion, under both mass-transfer- and reaction-rate-limited regimes. Results show that energy demand is strongly linked to IL recirculation and vapor recycle rates. Importantly, a reaction-rate-limited regime is advantageous: fast CO<sub>2</sub> absorption (even with slower hydrogenation) allows unreacted CO<sub>2</sub> in the vapor recycle to be reabsorbed, lowering flowrates and energy use. Because purging in the conversion loop affects net CO<sub>2</sub> removal, it is critical to design ICCC processes holistically, integrating capture and conversion to optimize overall carbon and energy efficiency.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"204 ","pages":"Article 109390"},"PeriodicalIF":3.9000,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Process modeling and sensitivity analysis for integrated carbon capture and conversion with ionic liquids\",\"authors\":\"Adhika P. Retnanto , Mark A. Stadtherr , Michael Baldea\",\"doi\":\"10.1016/j.compchemeng.2025.109390\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Integrated carbon capture and conversion (ICCC) processes convert captured CO<sub>2</sub> directly in the capture medium, avoiding the solvent regeneration, separation, and compression required in conventional capture–conversion (CCC) schemes. We present a prototype ionic liquid (IL)-based ICCC process integrated with an ethylene plant, producing methanol via <figure><img></figure> hydrogenation. A sensitivity analysis evaluates process energy use with respect to (1) CO<sub>2</sub> removal rate and (2) <figure><img></figure> conversion, under both mass-transfer- and reaction-rate-limited regimes. Results show that energy demand is strongly linked to IL recirculation and vapor recycle rates. Importantly, a reaction-rate-limited regime is advantageous: fast CO<sub>2</sub> absorption (even with slower hydrogenation) allows unreacted CO<sub>2</sub> in the vapor recycle to be reabsorbed, lowering flowrates and energy use. Because purging in the conversion loop affects net CO<sub>2</sub> removal, it is critical to design ICCC processes holistically, integrating capture and conversion to optimize overall carbon and energy efficiency.</div></div>\",\"PeriodicalId\":286,\"journal\":{\"name\":\"Computers & Chemical Engineering\",\"volume\":\"204 \",\"pages\":\"Article 109390\"},\"PeriodicalIF\":3.9000,\"publicationDate\":\"2025-09-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computers & Chemical Engineering\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S009813542500393X\",\"RegionNum\":2,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computers & Chemical Engineering","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S009813542500393X","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
Process modeling and sensitivity analysis for integrated carbon capture and conversion with ionic liquids
Integrated carbon capture and conversion (ICCC) processes convert captured CO2 directly in the capture medium, avoiding the solvent regeneration, separation, and compression required in conventional capture–conversion (CCC) schemes. We present a prototype ionic liquid (IL)-based ICCC process integrated with an ethylene plant, producing methanol via hydrogenation. A sensitivity analysis evaluates process energy use with respect to (1) CO2 removal rate and (2) conversion, under both mass-transfer- and reaction-rate-limited regimes. Results show that energy demand is strongly linked to IL recirculation and vapor recycle rates. Importantly, a reaction-rate-limited regime is advantageous: fast CO2 absorption (even with slower hydrogenation) allows unreacted CO2 in the vapor recycle to be reabsorbed, lowering flowrates and energy use. Because purging in the conversion loop affects net CO2 removal, it is critical to design ICCC processes holistically, integrating capture and conversion to optimize overall carbon and energy efficiency.
期刊介绍:
Computers & Chemical Engineering is primarily a journal of record for new developments in the application of computing and systems technology to chemical engineering problems.