Energy and exergy optimization of oxidative steam reforming of acetone–butanol–ethanol–water mixture as a renewable source for H2 production via thermodynamic modeling

IF 1 Q4 ENGINEERING, CHEMICAL Chemical Product and Process Modeling Pub Date : 2021-07-05 DOI:10.1515/cppm-2020-0116
B. Kumar, Shishir Sinha, Shashi Kumar, Surendra Kumar
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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.
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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
摘要丙酮-丁醇-乙醇-水混合物是通过生物质(即玉米芯、麦秆、甜菜、甘蔗等)发酵获得的。对于使用单独的成分,一种替代方案是通过蒸馏分离混合物,这是一种成本高昂且耗能高的操作。本文提出了它在可用条件下通过氧化蒸汽重整工艺生产氢燃料的其他用途。对于所提出的过程,已经使用吉布斯自由能最小化的非化学计量方法进行了热力学平衡建模。混合物中丙酮、丁醇和乙醇的组成以摩尔计为0.33:0.52:0.15。压力(1–10个大气压)、温度(573–1473 K)、蒸汽与ABE混合物的进料摩尔比(FABE=5.5–8.5)和氧气与ABE混合料的进料摩尔比(FOABE=0.25–1)对产物(平衡时)的产率(即H2、CH4、CO2、CO和固体碳)的影响已通过模拟进行了测试。最大限度地产生所需H2、最小化不期望的CH4和消除碳(固体)形成的最佳条件是T=973K、P=1atm、FABE=8.5和FOABE=0.25。在相同的操作条件下,H2的最大生成量为7.51摩尔,碳的形成可以忽略不计。在相同的操作条件下,获得了该工艺的总能量需求(295.73kJ/mol)、所需能量/mol氢气(39.37kJ)和重整器的热效率(68.09%)。还对火用分析进行了研究,以测量重整过程中隐含的能量的功潜力。
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来源期刊
Chemical Product and Process Modeling
Chemical Product and Process Modeling ENGINEERING, CHEMICAL-
CiteScore
2.10
自引率
11.10%
发文量
27
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.
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