scholarly journals Modeling Validation and Simulation of an Anode Supported SOFC Including Mass and Heat Transport, Fluid Flow and Chemical Reactions

2011 ◽  
Author(s):  
Martin Andersson ◽  
Jinliang Yuan ◽  
Bengt Sunde´n ◽  
Ting Shuai Li ◽  
Wei Guo Wang
Keyword(s):  
Fluid Flow ◽  
Chemical Reactions ◽  
Reaction Rates ◽  
Operating Conditions ◽  
Material Structure ◽  
Internal Reforming ◽  
Transport Distance ◽  
Lack Of Information ◽  
Partial Pressures ◽  
Temperature Standard

Fuel cells are electrochemical devices that directly transform chemical energy into electricity, which are promising for future energy systems, since they are energy efficient and, when hydrogen is used as fuel, there are no direct emissions of greenhouse gases. The cell performance depends strongly on the material characteristics, the operating conditions and the chemical reactions that occur inside the cell. The chemical- and electrochemical reaction rates depend on temperature, material structure, catalytic activity, degradation and the partial pressures for the different species components. There is a lack of information, within the open literature, concerning the fundamentals behind these reactions. Experimental as well as modeling studies are needed to reduce this gap. In this study experimental data collected from an intermediate temperature standard SOFC with H2/H2O in the fuel stream are used to validate a previously developed computational fluid dynamics model based on the finite element method. The developed model is based on the governing equations of heat and mass transport and fluid flow, which are solved together with kinetic expressions for internal reforming reactions of hydrocarbon fuels and electrochemistry. This model is further updated to describe the experimental environment concerning cell design. Discussion on available active area for electrochemical reactions and average ionic transport distance from the anodic- to the cathodic three-phase boundary (TPB) are presented. The fuel inlet mole fractions are changed for the validated model to simulate a H2/H2O mixture and 30% pre-reformed natural gas.

CFD Modeling Considering Different Kinetic Models for Internal Reforming Reactions in an Anode-Supported SOFC

2010 ◽  
Author(s):  
Hedvig Paradis ◽  
Martin Andersson ◽  
Jinliang Yuan ◽  
Bengt Sunde´n
Keyword(s):  
Fuel Cells ◽  
Kinetic Models ◽  
Reaction Rate ◽  
Experimental Studies ◽  
Reaction Rates ◽  
Transport Processes ◽  
Cfd Modeling ◽  
Internal Reforming ◽  
Partial Pressures ◽  
Shift Reaction

Fuel cells are electrochemical devices that transform chemical energy into electricity. Solid oxide fuel cells (SOFCs) are particularly interesting because they can handle the reforming of hydrocarbon fuels directly within the cell. This is possible due to their high operating temperature. The purpose of this study is to develop an anode-supported SOFC model, to enhance the understanding of the internal reforming and effects on the transport processes. In this study, a CFD approach, based on the finite element method, was implemented for the analysis to unravel the interaction between internal reforming, momentum, heat and mass transport. COMSOL Multiphysics is used to analyze the effects of different global kinetic models available for the steam reforming reaction. The three different reaction rates applied in this study were developed and correlated through experimental studies found in the literature. An equilibrium equation is implemented for the reaction rate for the water-gas shift reaction. The partial pressures and the related reaction order of the pressure are found to affect the reaction rate.

scholarly journals A Review on Recent Progress of Glycan-Based Surfactant Micelles as Nanoreactor Systems for Chemical Synthesis Applications

2021 ◽  
Vol 2 (1) ◽  
pp. 168-186
Author(s):  
Bahareh Vafakish ◽  
Lee D. Wilson
Keyword(s):  
Chemical Synthesis ◽  
Chemical Reactions ◽  
Recent Progress ◽  
Chemical Species ◽  
Reaction Rates ◽  
Bulk Solution ◽  
Surfactant Micelles ◽  
Conventional Surfactant ◽  
Recent Developments ◽  
To Receive

The nanoreactor concept and its application as a modality to carry out chemical reactions in confined and compartmentalized structures continues to receive increasing attention. Micelle-based nanoreactors derived from various classes of surfactant demonstrate outstanding potential for chemical synthesis. Polysaccharide (glycan-based) surfactants are an emerging class of biodegradable, non-toxic, and sustainable alternatives over conventional surfactant systems. The unique structure of glycan-based surfactants and their micellar structures provide a nanoenvironment that differs from that of the bulk solution, and supported by chemical reactions with uniquely different reaction rates and mechanisms. In this review, the aggregation of glycan-based surfactants to afford micelles and their utility for the synthesis of selected classes of reactions by the nanoreactor technique is discussed. Glycan-based surfactants are ecofriendly and promising surfactants over conventional synthetic analogues. This contribution aims to highlight recent developments in the field of glycan-based surfactants that are relevant to nanoreactors, along with future opportunities for research. In turn, coverage of research for glycan-based surfactants in nanoreactor assemblies with tailored volume and functionality is anticipated to motivate advanced research for the synthesis of diverse chemical species.

Flow Features Analysis of Throttle Notches of Proportional Direct Valve

2011 ◽  
Vol 189-193 ◽  
pp. 2285-2288
Author(s):  
Wen Hua Jia ◽  
Chen Bo Yin ◽  
Guo Jin Jiang
Keyword(s):  
Fluid Flow ◽  
Dynamic Behavior ◽  
Flow Rate ◽  
Discharge Coefficient ◽  
3D Models ◽  
Operating Conditions ◽  
Flow Models ◽  
Flow Features ◽  
Rate Discharge ◽  
Spool Valve

Flow features, specially, flow rate, discharge coefficient and efflux angle under different operating conditions are numerically simulated, and the effects of shapes and the number of notches on them are analyzed. To simulate flow features, 3D models are developed as commercially available fluid flow models. Most construction machineries in different conditions require different actions. Thus, in order to be capable of different actions and exhibit good dynamic behavior, flow features should be achieved in designing an optimized proportional directional spool valve.

Numerical Investigation of Heat Transfer, Fluid Flow and Formation of Emissions in Diesel Engines

2013 ◽  
Author(s):  
Müjdat Firat
Keyword(s):  
Heat Transfer ◽  
Fluid Flow ◽  
Combustion Engine ◽  
Operating Conditions ◽  
Heat Transfer Fluid ◽  
Nox Emissions ◽  
Combustion Pressure ◽  
Crank Angle ◽  
The Relationship ◽  
Hole Number

The present study has been performed on heat transfer, fluid flow and formation of emissions in a diesel engine by different engine parameters. The analysis aims at an investigation of flow field, heat transfer, combustion pressure and formation of emission by means of numerical simulation which is using as parameter; hole number of injector and crank angle. Numerical simulations are performed using the AVL-FIRE commercial software depending on the crank angle. This software is successfully used in internal combustion engine applications, and its validity has been accepted. In this paper, k-zeta-f is preferred as turbulence model and SIMPLE/PISO used as algorithms. Thus, results are presented with pressure traces, temperature curves and NOx and soot levels for engine operating conditions. In addition, the relationship between the spray behaviors and combustion characteristics including NOx emissions, soot emissions, combustion pressure and temperature were illustrated through this analysis.

Can Water Dilution Avoid Flashback on a Hydrogen Enriched Micro Gas Turbine Combustion? A Large Eddy Simulations Study

2020 ◽  
Author(s):  
Alessio Pappa ◽  
Laurent Bricteux ◽  
Pierre Bénard ◽  
Ward De Paepe
Keyword(s):  
Gas Turbines ◽  
Reaction Rates ◽  
Operating Conditions ◽  
Large Eddy Simulations ◽  
Small Scale ◽  
Reference Case ◽  
Large Eddy ◽  
Pure Methane ◽  
Water Dilution ◽  
Air Humidification

Abstract Considering the growing interest in Power-to-Fuel, i.e. production of H2 using electrolysis to store excess renewable electricity, combustion-based technologies still have a role to play in the future of power generation. Especially in a decentralized production with small-scale cogeneration, micro Gas Turbines (mGTs) offer great advantages related to their high adaptability and flexibility, in terms of operation and fuel. Hydrogen (or hydrogen enriched methane) combustion is well-known to lead to flame and combustion instabilities. The high temperatures and reaction rates reached in the combustor can potentially lead to flashback. In the past, combustion air humidification (i.e. water addition) has proven effective to reduce temperatures and reaction rates, leading to significant NOx emission reductions. Therefore, combustion air humidification can open a path to stabilize hydrogen combustion in a classical mGT combustor. However accurate data assessing the impact of humidification on the combustion is still missing for real mGT combustor geometries and operating conditions. In this framework, this paper presents a comparison between pure methane and hydrogen enriched methane/air combustions, with and without combustion air humidification, in a typical mGT combustion chamber (Turbec T100) using Large Eddy Simulations (LES) analysis. In a first step, the necessary minimal water dilution, to reach stable and low emissions combustion with hydrogen, was assessed using a 1D approach. The one-dimensional unstretched laminar flame is computed for both pure methane (reference case) and hydrogen enriched methane/air combustion cases. The results of this comparison show that, for the hydrogen enriched combustion, the same level of flame speed as in the reference case can be reached by adding 10% (in mass fraction) of water. In a second step, the feasibility and flexibility of humidified hydrogen enriched methane/air combustion in an industrial mGT combustor have been demonstrated by performing high fidelity LES on a 3D geometry. Results show that steam dilution helped to lower the reactivity of hydrogen, and thus prevents flashback, enabling the use of hydrogen blends in the mGT at similar CO levels, compared to the reference case. These results will help to design future combustor towards more stability.

Kinetic study of key species and reactions of atmospheric pressure pulsed corona discharge in humid air

2021 ◽  
Author(s):  
Yongkang Peng ◽  
Xiaoyue Chen ◽  
Yeqiang Deng ◽  
Lan Lei ◽  
Zhan Haoyu ◽  
...  
Keyword(s):  
Chemical Reactions ◽  
Chemical Reaction ◽  
Atmospheric Pressure ◽  
Discharge Plasma ◽  
Reaction Rates ◽  
Global Model ◽  
Discharge Process ◽  
Humid Air ◽  
Pressure Discharge ◽  
Atmospheric Pressure Discharge

Abstract The traditional corona discharge fluid model considers only electrons, positive and negative ions, and the discharge parameters are determined using the simplified weighting method involving the partial pressure ratio. Atmospheric pressure discharge plasma in humid air involves three main neutral gas molecule types: N2, O2, and H2O(g). However, in these conditions, the discharge process involves many types of particles and chemical reactions, and the charge and substance transfer processes are complex. At present, the databases of plasma chemical reaction equations are still expanding based on scholarly research. In this study, we examined the key particles and chemical reactions that substantially influence plasma characteristics. In summarizing the chemical reaction model for the discharge process of N2–O2–H2O(g) mixed gases, 65 particle types and 673 chemical reactions were investigated. On this basis, a global model of atmospheric pressure humid air discharge plasma was developed, with a focus on the variation of charged particles densities and chemical reaction rates with time under the excitation of a 0–200 Td pulsed electric field. Particles with a density greater than 1% of the electron density were classified as key particles. For such particles, the top ranking generation or consumption reactions (i.e., where the sum of their rates was greater than 95% of the total rate of the generation or consumption reactions) were classified as key chemical reactions On the basis of the key particles and reactions identified, a simplified global model was derived. A comparison of the global model with the simplified global model in terms of the model parameters, particle densities, reaction rates (with time), and calculation efficiencies demonstrated that both models can adequately identify the key particles and chemical reactions reflecting the chemical process of atmospheric pressure discharge plasma in humid air. Thus, by analyzing the key particles and chemical reaction pathways, the charge and substance transfer mechanism of atmospheric pressure pulse discharge plasma in humid air was revealed, and the mechanism underlying water vapor molecules’ influence on atmospheric pressure air discharge was elucidated.

Can Water Dilution Avoid Flashback On a Hydrogen Enriched Micro Gas Turbine Combustion? – A Large Eddy Simulations Study

2021 ◽  
Author(s):  
Alessio Pappa ◽  
Laurent Bricteux ◽  
Pierre Bénard ◽  
Ward De Paepe
Keyword(s):  
Reaction Rates ◽  
Hydrogen Combustion ◽  
Operating Conditions ◽  
Large Eddy Simulations ◽  
Reference Case ◽  
Large Eddy ◽  
Pure Methane ◽  
The Impact ◽  
Water Dilution ◽  
Air Humidification

Abstract Considering the growing interest in Power-to-Fuel, i.e. production of H2 using electrolysis to store excess renewable electricity, combustion-based technologies still have a role to play in the future of power generation. Hydrogen combustion is well-known to lead to combustion instabilities. The high temperatures and reaction rates can potentially lead to flashback. In the past, combustion air humidification has proven effective to reduce temperatures and reaction rates. Therefore, humidification can open a path to stabilize hydrogen combustion. However, accurate data assessing the impact of humidification on the combustion is still missing for real mGT combustor geometries and operating conditions. This paper presents a comparison between pure methane and hydrogen enriched methane/air combustions, with and without air humidification, in a typical mGT combustion chamber (Turbec T100) using Large Eddy Simulations analysis. In a first step, the necessary minimal water dilution, to reach stable combustion with hydrogen, was assessed using a 1D approach. The one-dimensional unstretched laminar flame is computed for both pure methane (reference case) and hydrogen enriched cases. The results of this comparison show that the same level of flame speed as in the reference case can be reached by adding 10% (in mass fraction) of water. In a second step, high fidelity LES on the 3D geometry are performed to show that water dilution helped to lower the temperature and reaction rate of hydrogen at same levels as reference case, and thus prevents flashback, enabling the use of hydrogen blends in the mGT.

scholarly journals Potential of Ceria-Zirconia-Based Materials in Carbon Soot Oxidation for Gasoline Particulate Filters

Catalysts ◽  
2020 ◽  
Vol 10 (7) ◽  
pp. 768
Author(s):  
Eleonora Aneggi ◽  
Alessandro Trovarelli
Keyword(s):  
Oxygen Vacancies ◽  
Mixed Oxides ◽  
Direct Injection ◽  
Soot Oxidation ◽  
Operating Conditions ◽  
Gasoline Direct Injection ◽  
Low Oxygen ◽  
Engine Exhaust ◽  
Partial Pressures ◽  
Carbon Soot

ZrO2 and Ce0.8Zr0.2O2 mixed oxides were prepared and tested in the oxidation of carbon soot at different oxygen partial pressures and degrees of catalyst/soot contact to investigate their activity under typical gasoline direct injection (GDI) operating conditions. Under reductive atmospheres, generation of oxygen vacancies occurs in Ce0.8Zr0.2O2, while no reduction is observed on ZrO2. Both materials can oxidize carbon under high oxygen partial pressures; however, at low oxygen partial pressures, the presence of carbon can contribute to the reduction of the catalyst and formation of oxygen vacancies, which can then be used for soot oxidation, increasing the overall performance. This mechanism is more efficient in Ce0.8Zr0.2O2 than ZrO2, and depends heavily on the interaction and the degree of contact between soot and catalyst. Thus, the ability to form oxygen vacancies at lower temperatures is particularly helpful to oxidize soot at low oxygen partial pressures, and with higher CO2 selectivity under conditions typically found in GDI engine exhaust gases.

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