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Showing 1 to 18 of 18 for “"CHEMKIN"”.
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Molecular Products from the Thermal Degradation of Selected Tobacco Components: Lignin, Tyrosine, Glutamic Acid, and Modeling of Lignin Pyrolysis using CHEMKIN Combustion Suite
… were the key products under oxidative pyrolysis. CHEMKIN combustion Suite was used to model the pyrolysis of lignin and consequently, a 15 reaction model was developed to determine the kinetics as well as the thermodynamic parameters of reaction products. By use of pseudo first order rate law, the …
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Computational Strategies for Faster Combustion Simulations with Detailed Chemistry
… a commercial PSR code which is available in the CHEMKIN software package. The maximum relatively difference of the concentration of the species of interest was only 1%. Calculated species concentration using the PSR-LTIM matched the results from CHEMKIN with comparable computational time, the …
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Study of geometry effects on local corrosion rates for Lbe loop
… reactive flow was carried out by using STAR-CD + CHEMKIN, which is designed for solving reactions both in flow and on surface. In addition, a self-developed code using the finite difference method was employed to reveal how mass transfer is affected by geometry and flow. A parametric study on …
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Surrogate modeling of alternative jet fuels for study of autoignition characteristics
… chemical kinetics solver programs: CANTERA and CHEMKIN-PRO®. The former is an open-source, object oriented chemical solver with capabilities for a range of reacting flow systems. CHEMKIN-PRO®, produced by Reaction Design, is a commercially available chemical solver. Together, these two programs …
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Nitric oxide conversion in a spark-ignited natural gas engine
… The NO conversion process was modeled using CHEMKIN, a chemical kinetic solver. The results showed decreasing the air-fuel ratio of the engine to slightly rich operation and adding EGR could increase the experimentally measured NO conversion of approximately 20% up to 90%.
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Effect Of Intake Temperature And Boost Pressure On The Auto-Ignition Of Fuels With Different Cetane Numbers And Volatilities
… their significance in the auto-ignition process. CHEMKIN is used to study the chemical reactions under different equivalence ratio, pressure and temperatures. Special attention has been given to LT (low-temperature) and NTC (negative-temperature coefficient) regimes during the ignition delay …
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An experimental investigation of the conversion of NO to NO2 in a simulated gas turbine environment
… testing. Computer modeling utilized the CHEMKIN chemical kinetics program and a subset of a previously published C-H-O-N system mechanism. Experimental work was conducted using a high pressure flow reactor designed and built in the course of the study. The effects of pressure, …
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Modelling and simulation of combustion of dilute syngas fuels in a CFR engine
… of the unique fuel mixtures calculated using CHEMKIN were coupled with the geometric features of the CFR engine to create a combustion model of the CFR engine in GT-POWER. Using two-zone modelling and detailed chemical kinetics, the model is also able to determine the performance of the engine …
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Combustion and pollutant characteristics of IC engines fueled with hydrogen and diesel/hydrogen mixtures using 3D computations with detailed chemical kinetics
… dimensional software AVL FIRE coupled with CHEMKIN. The detailed chemical reactions with 29 steps of hydrogen oxidation with additional nitrogen oxidation reactions were also employed. Formation rates of nitrogen oxides (NOx) within the engine were accurately predicted using the extended …
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Exergetic Analysis Of Hydrogen Combustion Involving Electronically Excited Species
… reactor model using the chemical simulation tool CHEMKIN-PRO® in conjunction with a reaction mechanism which includes explicit reaction pathways for NTP.</p> <p> The primary results of the study identify an optimal range of exergetic efficiency when NTP composes between 0% - 20% of the oxidizer …
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Autoignition study of next generation aviation fuels and components
… machine (RCM) experimental results and CHEMKIN chemical mechanism simulations. A newly constructed shock tube is also utilized to extend experimental temperature conditions to the negative temperature coefficient (NTC) regime and higher temperatures. Category A fuels, designated in the …
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Chemical simulation of hydrogen generation in a plasma fuel reformer
… The simulation tool used for this purpose was CHEMKIN 3.7. The fuel reformer was designed as a reactor where combustion is initiated by an electric discharge due to ohmic heating of the arc region. Two different types of reactors were used to model the plasmatron. The Plug Flow Reactor (PLUG) …
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Autoignition and flame speed of premixed liquefied petroleum gas in a rapid compression machine: experimental results and reduced chemical kinetic mechanism
… autoignition experiments were performed using Chemkin-Pro with several detailed chemical kinetic mechanisms to determine their suitability at predicting ignition delay periods. Multiple reduced chemical kinetic mechanisms were created from the NUIGMech1.1 mechanism to determine the optimal …
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Coupling of Chemical Kinetics with Computational Fluid Dynamics in a Three-Dimensional Engine Model
… reactions solved by the chemistry solver, CHEMKIN. As a result, an engine-friendly reaction mechanism for n-heptane was selected to simulate diesel oxidation. Each cell in the computational domain is considered as a perfectly-stirred reactor which undergoes adiabatic constant- volume …
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Application of chemical kinetic modeling to improve design and performance criteria for a practical incineration system
… of the networked model was developed using the CHEMKIN H library. A parallel effort considered the effects of non-ideal mixing on detailed thermo-kinetic, simulations. Specifically, an alternate approach was developed to solve the Partially Stirred Reactor (PaSR) model that allowed the …
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Fuel-NOx Formation during Low-Grade Fuel Combustion in a Swirling-Flow Burner
… Supplemented with kinetic calculations with CHEMKIN, it was found that NO formation is dependent on the nitrogen forms in the parent fuels.</p>
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Analysis of nitrogen oxide emissions produced during combustion of cracked-ammonia fuels
… Experimental NOx measurements are compared to Chemkin simulated NOx concentrations, revealing the potential occurrence of selective catalytic reduction. In this work we built a laminar, 1-dimensional flat flame apparatus to study NOx emissions produced from the two mixtures. It was found that …
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Design of a high pressure flow reactor for gas phase kinetics
… Ethane thermal decomposition modeling using CHEMKIN with a well-known Ethane Reaction Mechanism was completed to determine operating conditions for future experimental Ethane studies.