B. Kumar, Shishir Sinha, Shashi Kumar, Surendra Kumar
{"title":"基于热力学模型的丙酮-丁醇-乙醇-水混合物氧化蒸汽重整制氢的能量和火用优化","authors":"B. Kumar, Shishir Sinha, Shashi Kumar, Surendra Kumar","doi":"10.1515/cppm-2020-0116","DOIUrl":null,"url":null,"abstract":"Abstract Acetone–butanol–ethanol–water mixture is obtained by fermentation of biomass namely, corncob, wheat straw, sugarbeets, sugarcane, etc. For using the individual components, one alternative is to separate the mixture by distillation, which is costly and energy intensive operation. This paper proposes its other use in available conditions to produce hydrogen fuel by oxidative steam reforming process. For the proposed process, thermodynamic equilibrium modeling has been performed by using non-stoichiometric approach of Gibbs free energy minimization. The compositions of acetone, butanol and ethanol in mixture are 0.33:0.52:0.15 on molar basis. The influence of pressure (1–10 atm), temperature (573–1473 K), steam to ABE mixture molar feed ratio (FABE = 5.5–8.5), and oxygen to ABE mixture molar feed ratio (FOABE = 0.25–1) have been tested by simulations on the yield of products (at equilibrium) namely, H2, CH4, CO2, CO, and carbon as solid. The optimum conditions for maximum production of desired H2, minimization of undesired CH4, and elimination of carbon (solid) formation are T = 973 K, P = 1 atm, FABE = 8.5, and FOABE = 0.25. Under same operating conditions, the maximum generation of H2 is 7.51 on molar basis with negligible carbon formation. The total energy requirement for the process (295.73 kJ/mol), the energy required/mol of hydrogen (39.37 kJ), and thermal efficiency (68.09%) of the reformer have been obtained at same operating conditions. The exergy analysis has also been investigated to measure the work potential of the energy implied in the reforming process.","PeriodicalId":9935,"journal":{"name":"Chemical Product and Process Modeling","volume":"17 1","pages":"603 - 618"},"PeriodicalIF":1.0000,"publicationDate":"2021-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Energy and exergy optimization of oxidative steam reforming of acetone–butanol–ethanol–water mixture as a renewable source for H2 production via thermodynamic modeling\",\"authors\":\"B. Kumar, Shishir Sinha, Shashi Kumar, Surendra Kumar\",\"doi\":\"10.1515/cppm-2020-0116\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Abstract Acetone–butanol–ethanol–water mixture is obtained by fermentation of biomass namely, corncob, wheat straw, sugarbeets, sugarcane, etc. For using the individual components, one alternative is to separate the mixture by distillation, which is costly and energy intensive operation. This paper proposes its other use in available conditions to produce hydrogen fuel by oxidative steam reforming process. For the proposed process, thermodynamic equilibrium modeling has been performed by using non-stoichiometric approach of Gibbs free energy minimization. The compositions of acetone, butanol and ethanol in mixture are 0.33:0.52:0.15 on molar basis. The influence of pressure (1–10 atm), temperature (573–1473 K), steam to ABE mixture molar feed ratio (FABE = 5.5–8.5), and oxygen to ABE mixture molar feed ratio (FOABE = 0.25–1) have been tested by simulations on the yield of products (at equilibrium) namely, H2, CH4, CO2, CO, and carbon as solid. The optimum conditions for maximum production of desired H2, minimization of undesired CH4, and elimination of carbon (solid) formation are T = 973 K, P = 1 atm, FABE = 8.5, and FOABE = 0.25. Under same operating conditions, the maximum generation of H2 is 7.51 on molar basis with negligible carbon formation. The total energy requirement for the process (295.73 kJ/mol), the energy required/mol of hydrogen (39.37 kJ), and thermal efficiency (68.09%) of the reformer have been obtained at same operating conditions. The exergy analysis has also been investigated to measure the work potential of the energy implied in the reforming process.\",\"PeriodicalId\":9935,\"journal\":{\"name\":\"Chemical Product and Process Modeling\",\"volume\":\"17 1\",\"pages\":\"603 - 618\"},\"PeriodicalIF\":1.0000,\"publicationDate\":\"2021-07-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemical Product and Process Modeling\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1515/cppm-2020-0116\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"ENGINEERING, CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Product and Process Modeling","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1515/cppm-2020-0116","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
Energy and exergy optimization of oxidative steam reforming of acetone–butanol–ethanol–water mixture as a renewable source for H2 production via thermodynamic modeling
Abstract Acetone–butanol–ethanol–water mixture is obtained by fermentation of biomass namely, corncob, wheat straw, sugarbeets, sugarcane, etc. For using the individual components, one alternative is to separate the mixture by distillation, which is costly and energy intensive operation. This paper proposes its other use in available conditions to produce hydrogen fuel by oxidative steam reforming process. For the proposed process, thermodynamic equilibrium modeling has been performed by using non-stoichiometric approach of Gibbs free energy minimization. The compositions of acetone, butanol and ethanol in mixture are 0.33:0.52:0.15 on molar basis. The influence of pressure (1–10 atm), temperature (573–1473 K), steam to ABE mixture molar feed ratio (FABE = 5.5–8.5), and oxygen to ABE mixture molar feed ratio (FOABE = 0.25–1) have been tested by simulations on the yield of products (at equilibrium) namely, H2, CH4, CO2, CO, and carbon as solid. The optimum conditions for maximum production of desired H2, minimization of undesired CH4, and elimination of carbon (solid) formation are T = 973 K, P = 1 atm, FABE = 8.5, and FOABE = 0.25. Under same operating conditions, the maximum generation of H2 is 7.51 on molar basis with negligible carbon formation. The total energy requirement for the process (295.73 kJ/mol), the energy required/mol of hydrogen (39.37 kJ), and thermal efficiency (68.09%) of the reformer have been obtained at same operating conditions. The exergy analysis has also been investigated to measure the work potential of the energy implied in the reforming process.
期刊介绍:
Chemical Product and Process Modeling (CPPM) is a quarterly journal that publishes theoretical and applied research on product and process design modeling, simulation and optimization. Thanks to its international editorial board, the journal assembles the best papers from around the world on to cover the gap between product and process. The journal brings together chemical and process engineering researchers, practitioners, and software developers in a new forum for the international modeling and simulation community. Topics: equation oriented and modular simulation optimization technology for process and materials design, new modeling techniques shortcut modeling and design approaches performance of commercial and in-house simulation and optimization tools challenges faced in industrial product and process simulation and optimization computational fluid dynamics environmental process, food and pharmaceutical modeling topics drawn from the substantial areas of overlap between modeling and mathematics applied to chemical products and processes.