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Modeling, simulation, and optimization of postcombustion CO2 capture for variable feed concentration and flow rate / M. M. Faruque Hasan in Industrial & engineering chemistry research, Vol. 51 N° 48 (Décembre 2012) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 51 N° 48 (Décembre 2012) . - pp. 15642–15664 Titre : Modeling, simulation, and optimization of postcombustion CO2 capture for variable feed concentration and flow rate : . 1. Chemical absorption and membrane processes Type de document : texte imprimé Auteurs : M. M. Faruque Hasan, Auteur ; Richard C. Baliban, Auteur ; Josephine A. Elia, Auteur Année de publication : 2013 Article en page(s) : pp. 15642–15664 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Optimization  Postcombustion  CO2 Résumé : Studies on leading technologies for industrial CO2 capture are performed. Each technology includes flue gas dehydration, capture of at least 90% of CO2 from the feed, and compression to almost pure CO2 for sequestration at 150 bar. This paper presents the modeling, simulation, optimization, and energy integration of a monoethanolamine (MEA)-based chemical absorption process and a multistage membrane process over a range of feed compositions (1–70% CO2, 5.5–15% H2O, 5.5% O2, and the balance N2) and flow rates (0.1, 1, 5, and 10 kmol/s). A superstructure of process alternatives is developed to select the optimum dehydration strategy for the feed to each process. A rigorous simulation-based optimization model is proposed to determine the minimum annualized cost of the MEA-absorption process. The MEA-absorption process is energy integrated through heat exchanger network optimization. A novel mathematical model is developed for the optimization of multistage and multicomponent separation of CO2 using membranes, which can be also used for a range of membrane-based gas separation applications. The results showing the optimum investment, operating, and total costs provide a quantitative approach toward technology comparison and scaling up the absorption- and membrane-based CO2 capture from various CO2 emitting industries. Explicit expressions for the investment and operating costs of each alternative postcombustion CO2 capture process as functions of feed flow rate and CO2 composition are also developed for the first time. This may assist the decision-makers in selecting the cost-appropriate technology for comprehensive carbon management by taking the diverse emission scenarios into consideration. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie301571d [article] Modeling, simulation, and optimization of postcombustion CO2 capture for variable feed concentration and flow rate : . 1. Chemical absorption and membrane processes [texte imprimé] / M. M. Faruque Hasan, Auteur ; Richard C. Baliban, Auteur ; Josephine A. Elia, Auteur . - 2013 . - pp. 15642–15664. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 48 (Décembre 2012) . - pp. 15642–15664 Mots-clés : Optimization  Postcombustion  CO2 Résumé : Studies on leading technologies for industrial CO2 capture are performed. Each technology includes flue gas dehydration, capture of at least 90% of CO2 from the feed, and compression to almost pure CO2 for sequestration at 150 bar. This paper presents the modeling, simulation, optimization, and energy integration of a monoethanolamine (MEA)-based chemical absorption process and a multistage membrane process over a range of feed compositions (1–70% CO2, 5.5–15% H2O, 5.5% O2, and the balance N2) and flow rates (0.1, 1, 5, and 10 kmol/s). A superstructure of process alternatives is developed to select the optimum dehydration strategy for the feed to each process. A rigorous simulation-based optimization model is proposed to determine the minimum annualized cost of the MEA-absorption process. The MEA-absorption process is energy integrated through heat exchanger network optimization. A novel mathematical model is developed for the optimization of multistage and multicomponent separation of CO2 using membranes, which can be also used for a range of membrane-based gas separation applications. The results showing the optimum investment, operating, and total costs provide a quantitative approach toward technology comparison and scaling up the absorption- and membrane-based CO2 capture from various CO2 emitting industries. Explicit expressions for the investment and operating costs of each alternative postcombustion CO2 capture process as functions of feed flow rate and CO2 composition are also developed for the first time. This may assist the decision-makers in selecting the cost-appropriate technology for comprehensive carbon management by taking the diverse emission scenarios into consideration. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie301571d

Modeling, simulation, and optimization of postcombustion CO2 capture for variable feed concentration and flow rate / M. M. Faruque Hasan in Industrial & engineering chemistry research, Vol. 51 N° 48 (Décembre 2012) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 51 N° 48 (Décembre 2012) . - pp. 15665-15682 Titre : Modeling, simulation, and optimization of postcombustion CO2 capture for variable feed concentration and flow rate : . 2. Pressure swing adsorption and vacuum swing adsorption processes Type de document : texte imprimé Auteurs : M. M. Faruque Hasan, Auteur ; Richard C. Baliban, Auteur ; Josephine A. Elia, Auteur Année de publication : 2013 Article en page(s) : pp. 15665-15682 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Vacuum  swing  adsorption  Pressure  swing  adsorption  Optimization  Carbon  dioxide  Modeling Résumé : This paper reports studies on CO2 capture technologies and presents the mathematical modeling, simulation, and optimization of adsorption-based process alternatives, namely, pressure swing adsorption (PSA) and vacuum swing adsorption (VSA). Each technology includes feed dehydration, capture of at least 90% of CO2 from the feed, and compression to almost pure CO2 for sequestration at 150 bar. Each process alternative is optimized over a range of feed CO2 compositions and flow rates. A superstructure of alternatives is developed to select the optimum dehydration strategy for feed to each process. A four-step process with pressurization, adsorption in multiple columns packed with 13X zeolite, N2 purging, and product recovery at moderate to low vacuum is configured. A nonlinear algebraic and partial differential equation (NAPDE) based nonisothermal adsorption model is used, which is fully discretized and solved via a kriging model. Explicit expressions for costs as functions of feed flow rate and CO2 composition are also developed for the PSA- and VSA-based CO2 capture and compression for the first time. Furthermore, a cost-based comparison of four leading CO2 capture technologies, namely, absorption-, membrane-, PSA-, and VSA-based processes, is presented over a range of flue gas compositions and flow rates. This enables selection of the most cost-effective CO2 capture and storage (CCS) technology for diverse emission scenarios. Results indicate that CO2 can be captured with the least cost using a MEA-based chemical absorption when the feed CO2 composition is less than 15―20%. For higher CO2 compositions, VSA is the preferred process. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26710604 [article] Modeling, simulation, and optimization of postcombustion CO2 capture for variable feed concentration and flow rate : . 2. Pressure swing adsorption and vacuum swing adsorption processes [texte imprimé] / M. M. Faruque Hasan, Auteur ; Richard C. Baliban, Auteur ; Josephine A. Elia, Auteur . - 2013 . - pp. 15665-15682. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 48 (Décembre 2012) . - pp. 15665-15682 Mots-clés : Vacuum  swing  adsorption  Pressure  swing  adsorption  Optimization  Carbon  dioxide  Modeling Résumé : This paper reports studies on CO2 capture technologies and presents the mathematical modeling, simulation, and optimization of adsorption-based process alternatives, namely, pressure swing adsorption (PSA) and vacuum swing adsorption (VSA). Each technology includes feed dehydration, capture of at least 90% of CO2 from the feed, and compression to almost pure CO2 for sequestration at 150 bar. Each process alternative is optimized over a range of feed CO2 compositions and flow rates. A superstructure of alternatives is developed to select the optimum dehydration strategy for feed to each process. A four-step process with pressurization, adsorption in multiple columns packed with 13X zeolite, N2 purging, and product recovery at moderate to low vacuum is configured. A nonlinear algebraic and partial differential equation (NAPDE) based nonisothermal adsorption model is used, which is fully discretized and solved via a kriging model. Explicit expressions for costs as functions of feed flow rate and CO2 composition are also developed for the PSA- and VSA-based CO2 capture and compression for the first time. Furthermore, a cost-based comparison of four leading CO2 capture technologies, namely, absorption-, membrane-, PSA-, and VSA-based processes, is presented over a range of flue gas compositions and flow rates. This enables selection of the most cost-effective CO2 capture and storage (CCS) technology for diverse emission scenarios. Results indicate that CO2 can be captured with the least cost using a MEA-based chemical absorption when the feed CO2 composition is less than 15―20%. For higher CO2 compositions, VSA is the preferred process. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26710604

Toward novel hybrid biomass, coal, and natural gas processes for satisfying current transportation fuel demands, 1 / Richard C. Baliban in Industrial & engineering chemistry research, Vol. 49 N° 16 (Août 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 16 (Août 2010) . - pp. 7343–7370 Titre : Toward novel hybrid biomass, coal, and natural gas processes for satisfying current transportation fuel demands, 1 : process alternatives, gasification modeling, process simulation, and economic analysis Type de document : texte imprimé Auteurs : Richard C. Baliban, Auteur ; Josephine A. Elia, Auteur ; Christodoulos A. Floudas, Auteur Année de publication : 2010 Article en page(s) : pp. 7343–7370 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Hybrid  Biomass Résumé : This paper, which is the first part of a series of papers, introduces a hybrid coal, biomass, and natural gas to liquids (CBGTL) process that can produce transportation fuels in ratios consistent with current U.S. transportation fuel demands. Using the principles of the H2Car process, an almost-100% feedstock carbon conversion is attained using hydrogen produced from a carbon or noncarbon source and the reverse water-gas-shift reaction. Seven novel process alternatives that illustrate the effect of feedstock, hydrogen source, and light gas treatment on the process are considered. A complete process description is presented for each section of the CBGTL process including syngas generation, syngas treatment, hydrocarbon generation, hydrocarbon upgrading, and hydrogen generation. Novel mathematical models for biomass and coal gasification are developed to model the nonequilibrium effluent conditions using a stoichiometry-based method. Input−output relationships are derived for all vapor-phase components, char, and tar through a nonlinear parameter estimation optimization model based on the experimental results of multiple case studies. Two distinct Fischer−Tropsch temperatures and a detailed upgrading section based on a Bechtel design are used to produce the proper effluent composition to correctly match the desired ratio of gasoline, diesel, and kerosene. Steady-state process simulation results based on Aspen Plus are presented for the seven process alternatives with a detailed economic analysis performed using the Aspen Process Economic Analyzer and unit cost functions obtained from literature. Based on the appropriate refinery margins for gasoline, diesel, and kerosene, the price at which the CBGTL process becomes competitive with current petroleum-based processes is calculated. This break-even oil price is derived for all seven process flowsheets, and the sensitivity analysis with respect to hydrogen price, electricity price, and electrolyzer capital cost, is presented. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100063y [article] Toward novel hybrid biomass, coal, and natural gas processes for satisfying current transportation fuel demands, 1 : process alternatives, gasification modeling, process simulation, and economic analysis [texte imprimé] / Richard C. Baliban, Auteur ; Josephine A. Elia, Auteur ; Christodoulos A. Floudas, Auteur . - 2010 . - pp. 7343–7370. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 16 (Août 2010) . - pp. 7343–7370 Mots-clés : Hybrid  Biomass Résumé : This paper, which is the first part of a series of papers, introduces a hybrid coal, biomass, and natural gas to liquids (CBGTL) process that can produce transportation fuels in ratios consistent with current U.S. transportation fuel demands. Using the principles of the H2Car process, an almost-100% feedstock carbon conversion is attained using hydrogen produced from a carbon or noncarbon source and the reverse water-gas-shift reaction. Seven novel process alternatives that illustrate the effect of feedstock, hydrogen source, and light gas treatment on the process are considered. A complete process description is presented for each section of the CBGTL process including syngas generation, syngas treatment, hydrocarbon generation, hydrocarbon upgrading, and hydrogen generation. Novel mathematical models for biomass and coal gasification are developed to model the nonequilibrium effluent conditions using a stoichiometry-based method. Input−output relationships are derived for all vapor-phase components, char, and tar through a nonlinear parameter estimation optimization model based on the experimental results of multiple case studies. Two distinct Fischer−Tropsch temperatures and a detailed upgrading section based on a Bechtel design are used to produce the proper effluent composition to correctly match the desired ratio of gasoline, diesel, and kerosene. Steady-state process simulation results based on Aspen Plus are presented for the seven process alternatives with a detailed economic analysis performed using the Aspen Process Economic Analyzer and unit cost functions obtained from literature. Based on the appropriate refinery margins for gasoline, diesel, and kerosene, the price at which the CBGTL process becomes competitive with current petroleum-based processes is calculated. This break-even oil price is derived for all seven process flowsheets, and the sensitivity analysis with respect to hydrogen price, electricity price, and electrolyzer capital cost, is presented. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100063y

Toward novel hybrid biomass, coal, and natural gas processes for satisfying current transportation fuel demands, 2 / Josephine A. Elia in Industrial & engineering chemistry research, Vol. 49 N° 16 (Août 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 16 (Août 2010) . - pp. 7371–7388 Titre : Toward novel hybrid biomass, coal, and natural gas processes for satisfying current transportation fuel demands, 2 : simultaneous heat and power integration Type de document : texte imprimé Auteurs : Josephine A. Elia, Auteur ; Richard C. Baliban, Auteur ; Christodoulos A. Floudas, Auteur Année de publication : 2010 Article en page(s) : pp. 7371–7388 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Hybrid  Biomass  Natural  Gas Résumé : This paper, which is the second of a series of papers, presents an approach for the generation of a novel heat exchange and power recovery network (HEPN) for use with any large-scale process. A three-stage decomposition framework is introduced to sequentially determine the minimum hot/cold/power utility requirement, the minimum number of heat exchanger matches, and the minimum annualized cost of heat exchange. A superset of heat engine operating conditions is used to derive the heat engine design alternatives that produce the maximum amount of electricity that can be generated when there is complete integration with the process streams. Given the minimum utility loads and the appropriate subnetworks for each process flowsheet, the minimum number of heat exchanger matches is found for each subnetwork. Weighted matches and vertical heat transfer are used to distinguish among the heat exchanger sets, to postulate the appropriate set of matches that will yield the lower minimum annualized cost. Finally, a minimum annualized cost model was presented, which uses Aspen Plus process information to estimate the cost functions for a heat exchanger match and the overall heat transfer coefficient. The proposed model is then used to analyze the seven simulated process flowsheets detailed in the first part of this series of papers [Ind. Eng. Chem. Res. 2010, DOI: 10.1016/ie100063y]. Detailed case studies are presented for the three hybrid process flowsheets to highlight the key differences in the HEPN for each process. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100064q [article] Toward novel hybrid biomass, coal, and natural gas processes for satisfying current transportation fuel demands, 2 : simultaneous heat and power integration [texte imprimé] / Josephine A. Elia, Auteur ; Richard C. Baliban, Auteur ; Christodoulos A. Floudas, Auteur . - 2010 . - pp. 7371–7388. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 16 (Août 2010) . - pp. 7371–7388 Mots-clés : Hybrid  Biomass  Natural  Gas Résumé : This paper, which is the second of a series of papers, presents an approach for the generation of a novel heat exchange and power recovery network (HEPN) for use with any large-scale process. A three-stage decomposition framework is introduced to sequentially determine the minimum hot/cold/power utility requirement, the minimum number of heat exchanger matches, and the minimum annualized cost of heat exchange. A superset of heat engine operating conditions is used to derive the heat engine design alternatives that produce the maximum amount of electricity that can be generated when there is complete integration with the process streams. Given the minimum utility loads and the appropriate subnetworks for each process flowsheet, the minimum number of heat exchanger matches is found for each subnetwork. Weighted matches and vertical heat transfer are used to distinguish among the heat exchanger sets, to postulate the appropriate set of matches that will yield the lower minimum annualized cost. Finally, a minimum annualized cost model was presented, which uses Aspen Plus process information to estimate the cost functions for a heat exchanger match and the overall heat transfer coefficient. The proposed model is then used to analyze the seven simulated process flowsheets detailed in the first part of this series of papers [Ind. Eng. Chem. Res. 2010, DOI: 10.1016/ie100063y]. Detailed case studies are presented for the three hybrid process flowsheets to highlight the key differences in the HEPN for each process. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100064q