Process simulation and optimization of H2 production from ethanol steam reforming and its use in fuel cells. 2. Process analysis and optimization

Rossetti, Ilenia; Compagnoni, Matteo; Torli, Mauro

doi:10.1016/j.cej.2015.08.045

Cited by 57 publications

(58 citation statements)

References 30 publications

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“…This idea has to prove sustainable from the industrial and economical points of view, therefore process simulation is a powerful tool for preliminary process design, to evaluate the operating conditions and process layout that may ensure the economical viability of the process. Process simulation has been carried out e.g., to evaluate the performance of a 5 kW electrical + 5 kW thermal cogeneration unit starting from bioethanol and converting the reformate by means of fuel cells [22][23][24][25].…”

Section: Processes Following Complex Kinetic Schemesmentioning

confidence: 99%

Process Simulation for the Design and Scale Up of Heterogeneous Catalytic Process: Kinetic Modelling Issues

et al. 2017

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Abstract:Process simulation represents an important tool for plant design and optimization, either applied to well established or to newly developed processes. Suitable thermodynamic packages should be selected in order to properly describe the behavior of reactors and unit operations and to precisely define phase equilibria. Moreover, a detailed and representative kinetic scheme should be available to predict correctly the dependence of the process on its main variables. This review points out some models and methods for kinetic analysis specifically applied to the simulation of catalytic processes, as a basis for process design and optimization. Attention is paid also to microkinetic modelling and to the methods based on first principles, to elucidate mechanisms and independently calculate thermodynamic and kinetic parameters. Different case studies support the discussion. At first, we have selected two basic examples from the industrial chemistry practice, e.g., ammonia and methanol synthesis, which may be described through a relatively simple reaction pathway and the relative available kinetic scheme. Then, a more complex reaction network is deeply discussed to define the conversion of bioethanol into syngas/hydrogen or into building blocks, such as ethylene. In this case, lumped kinetic schemes completely fail the description of process behavior. Thus, in this case, more detailed-e.g., microkinetic-schemes should be available to implement into the simulator. However, the correct definition of all the kinetic data when complex microkinetic mechanisms are used, often leads to unreliable, highly correlated parameters. In such cases, greater effort to independently estimate some relevant kinetic/thermodynamic data through Density Functional Theory (DFT)/ab initio methods may be helpful to improve process description.

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Section: Processes Following Complex Kinetic Schemesmentioning

confidence: 99%

Process Simulation for the Design and Scale Up of Heterogeneous Catalytic Process: Kinetic Modelling Issues

et al. 2017

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“…Thus, the block named "SRE" was used to link Aspen Plus V9.0 (Aspen Tech, Burlington, MA, USA, 2016) and Microsoft Excel 2016. NRTL-RK was used as thermodynamic package in the simulations in order to simultaneously model condensable and non-condensable compounds present in hydrocarbon reforming [39,77]. This allowed the results of the simulations to be downloaded directly into Excel and used in the mathematical models obtained from the RSM, replacing the "Actual Factors" of Table 3 in Equation (17).…”

Section: Simulation In Aspen Plus Softwarementioning

confidence: 99%

“…Aspen Plus is a widely used software for the simulation of H 2 production from steam reforming. For instance, Rossetti et al [39] quantified electrical power, thermal energy output, and overall efficiency of a plant based on SRE. Genyin et al [40] created a user-defined model built in FORTRAN (version 9.0, Aspen Tech, Burlington, MA, USA, 2016) to simulate a fluidized bed membrane reactor for H 2 production.…”

Section: Introductionmentioning

confidence: 99%

Response Surface Methodology and Aspen Plus Integration for the Simulation of the Catalytic Steam Reforming of Ethanol

2017

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Abstract:The steam reforming of ethanol (SRE) on a bimetallic RhPt/CeO 2 catalyst was evaluated by the integration of Response Surface Methodology (RSM) and Aspen Plus (version 9.0, Aspen Tech, Burlington, MA, USA, 2016). First, the effect of the Rh-Pt weight ratio (1:0, 3:1, 1:1, 1:3, and 0:1) on the performance of SRE on RhPt/CeO 2 was assessed between 400 to 700 • C with a stoichiometric steam/ethanol molar ratio of 3. RSM enabled modeling of the system and identification of a maximum of 4.2 mol H 2 /mol EtOH (700 • C) with the Rh 0.4 Pt 0.4 /CeO 2 catalyst. The mathematical models were integrated into Aspen Plus through Excel in order to simulate a process involving SRE, H 2 purification, and electricity production in a fuel cell (FC). An energy sensitivity analysis of the process was performed in Aspen Plus, and the information obtained was used to generate new response surfaces. The response surfaces demonstrated that an increase in H 2 production requires more energy consumption in the steam reforming of ethanol. However, increasing H 2 production rebounds in more energy production in the fuel cell, which increases the overall efficiency of the system. The minimum H 2 yield needed to make the system energetically sustainable was identified as 1.2 mol H 2 /mol EtOH. According to the results of the integration of RSM models into Aspen Plus, the system using Rh 0.4 Pt 0.4 /CeO 2 can produce a maximum net energy of 742 kJ/mol H 2 , of which 40% could be converted into electricity in the FC (297 kJ/mol H 2 produced). The remaining energy can be recovered as heat.

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“…Process simulation has been carried out to evaluate the performance of a 5 kWelectrical + 5 kWthermal cogeneration unit starting from bioethanol and converting the reformate by means of fuel cells [22][23][24][25].…”

Section: -Processes Following Complex Kinetic Schemesmentioning

confidence: 99%

Kinetic Modelling at the Basis of Process Simulation for Heterogeneous Catalytic Process Design

Tripodi¹,

Compagnoni²,

Martinazzo³

et al. 2017

Preprint

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Process simulation represents an important tool for plant design and optimisation, either applied to well established or to newly developed processes. Suitable thermodynamic packages should be selected in order to properly describe the behaviour of reactors and unit operations and to precisely define phase equilibria. Moreover, a detailed and representative kinetic scheme should be available to predict correctly the dependence of the process on its main variables. This review points out some models and methods for kinetic analysis specifically applied to the simulation of catalytic processes, as a basis for process design and optimisation. Attention is paid also to microkinetic modelling and to the methods based on first principles, to elucidate mechanisms and calculate thermodynamic and kinetic parameters. Different case histories support the discussion. At first, we have selected two basic examples from the industrial chemistry practice, e.g. ammonia and methanol synthesis, which may be described through a relatively simple reaction pathway. Then, a more complex reaction network is deeply discussed to define the conversion of bioethanol into syngas/hydrogen or into building blocks, such as ethylene.

show abstract

Process simulation and optimization of H2 production from ethanol steam reforming and its use in fuel cells. 2. Process analysis and optimization

Cited by 57 publications

References 30 publications

Process Simulation for the Design and Scale Up of Heterogeneous Catalytic Process: Kinetic Modelling Issues

Process Simulation for the Design and Scale Up of Heterogeneous Catalytic Process: Kinetic Modelling Issues

Response Surface Methodology and Aspen Plus Integration for the Simulation of the Catalytic Steam Reforming of Ethanol

Kinetic Modelling at the Basis of Process Simulation for Heterogeneous Catalytic Process Design

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