Chemical kinetic analysis on influence of hydrogen enrichment on the combustion characteristics of ammonia air using newly proposed reaction model

A reduced chemical kinetic model (103species and 468 reactions) for new low-RON(research octane number) gasoline surrogate fuels has been proposed. Simulations explored for ignition delay time have been compared with experimental data in shock tubes at pressure of 10atm-55 atm and temperatue of 600-1400 K (fuel/air equivalence ratio=0.5,1.0,2.0 and EGR rate=0, 20%). The simulation data presented 15% enlargement compared with experiments showed applicability of the new kinetic mode in this work. A combustion simulation model has been build for HCCI(homogeneous charge compression ignition) engine with Chemkin-pro. The effects of different air inlet temperature, inlet pressure, engine speed and the fuel air equivalence ratio on the combustion characteristics of the fuel were researched. The results indicated the combustion in an HCCI engine worked sufficiently with lean mixtures and low speed. Meanwhile the material strength could be influenced when the inlet conditions changed. This helps to promote the low-RON gasoline surrogate fuel application in the HCCI engine.

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Reaction Model Development of Selected Aromatics as Relevant Molecules of a Kerosene Surrogate – The Importance of M-Xylene Within the Combustion of 1,3,5-Trimethylbenzene

10.1115/gt2021-60093 ◽

2021 ◽

Author(s):

Astrid Ramirez Hernandez ◽

Trupti Kathrotia ◽

Torsten Methling ◽

Marina Braun-Unkhoff ◽

Uwe Riedel

Keyword(s):

Atmospheric Pressure ◽

Burning Velocity ◽

Model Development ◽

Kinetic Mechanism ◽

Chemical Kinetic ◽

Reaction Model ◽

Pollutant Emissions ◽

Similar Species ◽

Ignition Delay Times ◽

Wide Range

Abstract The development of advanced reaction models to predict pollutant emissions in aero-engine combustors usually relies on surrogate formulations of a specific jet fuel for mimicking its chemical composition. 1,3,5-trimethylbenzene is one of the suitable components to represent aromatics species in those surrogates. However, a comprehensive reaction model for 1,3,5-trimethylbenzene combustion requires a mechanism to describe the m-xylene oxidation. In this work, the development of a chemical kinetic mechanism for describing the m-xylene combustion in a wide parameter range (i.e. temperature, pressure, and fuel equivalence ratios) is presented. The m-xylene reaction submodel was developed based on existing reaction mechanisms of similar species such as toluene and reaction pathways adapted from literature. The sub-model was integrated into an existing detailed mechanism that contains the kinetics of a wide range of n-paraffins, iso-paraffins, cyclo-paraffins, and aromatics. Simulation results for m-xylene were validated against experimental data available in literature. Results show that the presented m-xylene mechanism correctly predicts ignition delay times at different pressures and temperatures as well as laminar burning velocities at atmospheric pressure and various fuel equivalence ratios. At high pressure, some deviations of the calculated laminar burning velocity and the measured values are obtained at stoichiometric to rich equivalence ratios. Additionally, the model predicts reasonably well concentration profiles of major and intermediate species at different temperatures and atmospheric pressure.

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Chemical Kinetic Analysis of a Flameless Gas Turbine Combustor

Volume 3: Combustion, Fuels and Emissions, Parts A and B ◽

10.1115/gt2008-50619 ◽

2008 ◽

Author(s):

G. Arvind Rao ◽

Yeshayahou Levy ◽

Ephraim J. Gutmark

Keyword(s):

Combustion Chamber ◽

Kinetic Analysis ◽

Gas Turbine ◽

Flame Temperature ◽

Plug Flow ◽

Combustion Process ◽

Chemical Reactor ◽

Chemical Kinetic ◽

Combustion Regime ◽

Reactor Model

Flameless combustion (FC) is one of the most promising techniques of reducing harmful emissions from combustion systems. FC is a combustion phenomenon that takes place at low O2 concentration and high inlet reactant temperature. This unique combination results in a distributed combustion regime with a lower adiabatic flame temperature. The paper focuses on investigating the chemical kinetics of an prototype combustion chamber built at the university of Cincinnati with an aim of establishing flameless regime and demonstrating the applicability of FC to gas turbine engines. A Chemical reactor model (CRM) has been built for emulating the reactions within the combustor. The entire combustion chamber has been divided into appropriate number of Perfectly Stirred Reactors (PSRs) and Plug Flow Reactors (PFRs). The interconnections between these reactors and the residence times of these reactors are based on the PIV studies of the combustor flow field. The CRM model has then been used to predict the combustor emission profile for various equivalence ratios. The results obtained from CRM model show that the emission from the combustor are quite less at low equivalence ratios and have been found to be in reasonable agreement with experimental observations. The chemical kinetic analysis gives an insight on the role of vitiated combustion gases in suppressing the formation of pollutants within the combustion process.

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Numerical and chemical kinetic analysis to evaluate the effect of steam dilution and pressure on combustion of n-dodecane in a swirling flow environment

Fuel ◽

10.1016/j.fuel.2020.119710 ◽

2021 ◽

Vol 288 ◽

pp. 119710

Author(s):

Subhankar Mohapatra ◽

Subrat Garnayak ◽

Bok Jik Lee ◽

Ayman M. Elbaz ◽

William L. Roberts ◽

...

Keyword(s):

Kinetic Analysis ◽

Swirling Flow ◽

Chemical Kinetic ◽

Flow Environment

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A green approach towards adoption of chemical reaction model on 2,5 - dimethyl - 2,5 - di - ( tert - butylperoxy)hexane decomposition by differential isoconversional kinetic analysis

Journal of Hazardous Materials ◽

10.1016/j.jhazmat.2015.09.005 ◽

2016 ◽

Vol 301 ◽

pp. 222-232 ◽

Cited By ~ 28

Author(s):

Mitali Das ◽

Chi-Min Shu

Keyword(s):

Kinetic Analysis ◽

Chemical Reaction ◽

Reaction Model ◽

Green Approach ◽

Isoconversional Kinetic Analysis ◽

Chemical Reaction Model

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LIF measurements and chemical kinetic analysis of methylidyne formation in high-pressure counter-flow partially premixed and non-premixed flames

Applied Physics B ◽

10.1007/s00340-004-1630-3 ◽

2004 ◽

Vol 79 (7) ◽

pp. 891-905 ◽

Cited By ~ 9

Author(s):

S.V. Naik ◽

N.M. Laurendeau

Keyword(s):

High Pressure ◽

Kinetic Analysis ◽

Premixed Flames ◽

Chemical Kinetic ◽

Counter Flow ◽

Partially Premixed

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Chemical kinetic analysis of the activation energy of diffusion coefficient of sulfate ion in concrete

Chemical Physics Letters ◽

10.1016/j.cplett.2020.137596 ◽

2020 ◽

Vol 753 ◽

pp. 137596

Author(s):

Ying Chen ◽

Peng Liu ◽

Rongling Zhang ◽

Yan Hu ◽

Zhiwu Yu

Keyword(s):

Activation Energy ◽

Diffusion Coefficient ◽

Kinetic Analysis ◽

Chemical Kinetic ◽

Sulfate Ion ◽

Activation Energy Of Diffusion

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Kinetic Analysis of the Thermal Degradation of Recycled Acrylonitrile-Butadiene-Styrene by non-Isothermal Thermogravimetry

Polymers ◽

10.3390/polym11020281 ◽

2019 ◽

Vol 11 (2) ◽

pp. 281 ◽

Cited By ~ 2

Author(s):

Rafael Balart ◽

David Garcia-Sanoguera ◽

Luis Quiles-Carrillo ◽

Nestor Montanes ◽

Sergio Torres-Giner

Keyword(s):

Thermal Degradation ◽

Kinetic Analysis ◽

Acrylonitrile Butadiene Styrene ◽

Isoconversional Methods ◽

Reaction Model ◽

Integral Model ◽

Heating Rates ◽

Exponential Factor ◽

Model Free ◽

Butadiene Styrene

This work presents an in-depth kinetic study of the thermal degradation of recycled acrylonitrile-butadiene-styrene (ABS) polymer. Non-isothermal thermogravimetric analysis (TGA) data in nitrogen atmosphere at different heating rates comprised between 2 and 30 K min−1 were used to obtain the apparent activation energy (Ea) of the thermal degradation process of ABS by isoconversional (differential and integral) model-free methods. Among others, the differential Friedman method was used. Regarding integral methods, several methods with different approximations of the temperature integral were used, which gave different accuracies in Ea. In particular, the Flynn-Wall-Ozawa (FWO), the Kissinger-Akahira-Sunose (KAS), and the Starink methods were used. The results obtained by these methods were compared to the Kissinger method based on peak temperature (Tm) measurements at the maximum degradation rate. Combined Kinetic Analysis (CKA) was also carried out by using a modified expression derived from the general Sestak-Berggren equation with excellent results compared with the previous methods. Isoconversional methods revealed negligible variation of Ea with the conversion. Furthermore, the reaction model was assessed by calculating the characteristic and functions and comparing them with some master plots, resulting in a nth order reaction model with n = 1.4950, which allowed calculating the pre-exponential factor (A) of the Arrhenius constant. The results showed that Ea of the thermal degradation of ABS was 163.3 kJ mol−1, while ln A was 27.5410 (A in min−1). The predicted values obtained by integration of the general kinetic expression with the calculated kinetic triplet were in full agreement with the experimental data, thus giving evidence of the accuracy of the obtained kinetic parameters.

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