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    Kinetic investigation of small systems using different algorithms

    , Article Journal of the Iranian Chemical Society ; Volume 3, Issue 4 , 2006 , Pages 327-333 ; 1735207X (ISSN) Taherkhani, F ; Parsafar, G. A ; Rahimitabar, M. R ; Sharif University of Technology
    Iranian Chemical Society  2006
    Abstract
    We have investigated different algorithms for the simulation of kinetics of small systems. We have simulated the first order reversible reaction with the Gillespie, Gibson and Brack time simulation as a function of Poisson distribution and compared the results of three algorithms. We have also simulated intracellular viral kinetics for a genome with Gillespie and Poisson distribution algorithms  

    Investigating various effects of reformer gas enrichment on a natural gas-fueled HCCI combustion engine

    , Article International Journal of Hydrogen Energy ; Vol. 39, issue. 34 , November , 2014 , p. 19799-19809 Voshtani, S ; Reyhanian, M ; Ehteram, M ; Hosseini, V ; Sharif University of Technology
    Abstract
    Homogenous charge compression ignition (HCCI) combustion has the potential to work with high thermal efficiency, low fuel consumption, and extremely low NOx-PM emissions. In this study, zero-dimensional single-zone and quasi-dimensional multi-zone detailed chemical kinetics models were developed to predict and control an HCCI combustion engine fueled with a natural gas and reformer gas (RG) blend. The model was validated through experiments performed with a modified single-cylinder CFR engine. Both models were able to acceptably predict combustion initiation. The result shows that the chemical and thermodynamic effects of RG blending advance the start of combustion (SOC), whereas dilution... 

    Investigation of the Effects of Variable Valve Timing and Lift on Knock Limits of Spark Ignited Gasoline Engine

    , M.Sc. Thesis Sharif University of Technology Rahatlooi, Rahele (Author) ; Saeidi, Mohammad Hasan (Supervisor) ; Hosseini, Vahid (Supervisor)
    Abstract
    Knock is an abnormal phenomena in combustion engines and one the main limiter elements in increasing engine efficiency. From years ago, recognition and elimination of this phenomenon had studied by investigators and various approaches to anticipation had presented. One of the newest methods is using of property variety in air and fuel mixture with using technologies like Variable Valve Timing (VVT) system.
    The purpose of this work is development a simple model in basis physics of 3 zone, homogeneous, ignition combustion with a partial kinetics model that this model can predict the knock phenomenon onset with good precision for various qualities of mixture. This study survey effect of... 

    Numerical Investigation of Turbulent Spray Combustion in Hot Diluted Co-Flow

    , Ph.D. Dissertation Sharif University of Technology Karimi Motaalegh Mahalegi, Hamed (Author) ; Mardani, Amir (Supervisor)
    Abstract
    The Moderate or Intense Low-oxygen Dilution (MILD) combustion of liquid fuels has attracted attention to use its advantages in industrial burners and gas turbines applications. Here numerical investigation has been conducted on a research experimental MILD turbulent spray burner (Deft Spray in Hot Co-flow, DSHC). RANS approach has been adopted for modeling of the reactive turbulent flow field of continues phase with the Lagrangian approach for droplet modeling of pressure-swirl atomizer fuel spray. The EDC combustion model is used which has the ability to take into account the detailed chemical mechanisms. The accuracy of different turbulence and droplet injection sub-models are examined and... 

    Comparison and reduction of the chemical kinetic mechanisms proposed for thermal partial oxidation of methane (TPOX) in porous media

    , Article International Journal of Hydrogen Energy ; Volume 46, Issue 37 , 2021 , Pages 19312-19322 ; 03603199 (ISSN) Fotovat, F ; Rahimpour, M ; Sharif University of Technology
    Elsevier Ltd  2021
    Abstract
    The effectiveness and reducibility of the methane combustion kinetic mechanisms were examined for the TPOX process in a porous medium. To this end, TPOX was successfully simulated using ANSYS CHEMKIN-Pro through a reactor network model composed of perfectly stirred and honeycomb-monolith reactors. The efficacy of six chemical kinetic mechanisms was compared for the equivalence ratios (ERs) ranging from 2.4 to 2.6 with a constant thermal load of 1540 kW/m2. This comparison revealed that Konnov was the most successful mechanism in the prediction of the H2 and CO mole fractions. This mechanism along with the GRI-3.0 and USC-Mech 2.0 mechanisms were then reduced by the direct relation graph with... 

    Partially Homogenous HCCI Combustion Chemical Kinetics Model Initial Conditions Development by CFD Modeling

    , M.Sc. Thesis Sharif University of Technology Babazadeh, Amin (Author) ; Hosseini, Vahid (Supervisor)
    Abstract
    Homogeneous Charge Compression Ignition (HCCI) engines are the new generation of internal combustion engines which have diesel-like thermal efficiency, while they have low nitrogen oxide and soot emission. One of the major problems of HCCI engines is combustion timing control due to its dependence on reactivity of the charge and chemical kinetics. Moreover, limiting operation range between knock and misfiring is the other drawback of using these kind of engines. In the present work, partially homogeneous HCCI combustion in a single cylinder diesel engine is modeled using Computational Fluid Dynamics (CFD) coupled with chemical kinetics. Simulation includes the engine cycle from exhaust valve... 

    Chemical kinetic modeling of i-butane and n-butane catalytic cracking reactions over HZSM-5 zeolite

    , Article AIChE Journal ; Volume 58, Issue 8 , 2012 , Pages 2456-2465 ; 00011541 (ISSN) Roohollahi, G ; Kazemeini, M ; Mohammadrezaee, A ; Golhosseini, R ; Sharif University of Technology
    Abstract
    A chemical kinetic model for i-butane and n-butane catalytic cracking over synthesized HZSM-5 zeolite, with SiO 2/Al 2O 3 = 484, and in a plug flow reactor under various operating conditions, has been developed. To estimate the kinetic parameters of catalytic cracking reactions of i-butane and n-butane, a lump kinetic model consisting of six reaction steps and five lumped components is proposed. This kinetic model is based on mechanistic aspects of catalytic cracking of paraffins into olefins. Furthermore, our model takes into account the effects of both protolytic and bimolecular mechanisms. The Levenberg-Marquardt algorithm was used to estimate kinetic parameters. Results from statistical... 

    Investigation of the effect of reformer gas on PRFs HCCI combustion based on exergy analysis

    , Article International Journal of Hydrogen Energy ; Volume 41, Issue 7 , 2016 , Pages 4278-4295 ; 03603199 (ISSN) Neshat, E ; Saray, R. K ; Hosseini, V ; Sharif University of Technology
    Elsevier Ltd  2016
    Abstract
    Lack of a direct method to control combustion timing is one of the main disadvantages of homogeneous charge compression ignition (HCCI) engines. Fuel blending, in which two fuels with different auto-ignition characteristics are blended, can be used to control combustion timing. Utilizing different additives is another method for HCCI combustion control. The aim of this research is investigation on the effect of reformer gas addition on the availability terms in HCCI engines fueled with primary reference fuels (PRFs). A multi zone model (MZM) coupled with a semi detailed chemical kinetics mechanism is used for calculation of different terms of exergy analysis. Heat and mass transfer between... 

    Various effects of reformer gas enrichment on natural-gas, iso-octane and normal-heptane HCCI combustion using artificial inert species method

    , Article Energy Conversion and Management ; Volume 159 , March , 2018 , Pages 7-19 ; 01968904 (ISSN) Reyhanian, M ; Hosseini, V ; Sharif University of Technology
    Elsevier Ltd  2018
    Abstract
    Reformer gas (syngas) addition to main fuel is a practical solution for combustion timing control in HCCI engines. This study emphasizes the understanding of various effects of reformer gas (RG) addition, with composition of 75%vol H2 and 25%vol CO, in HCCI combustion by developing an artificial inert species method and using a detailed chemical kinetics multi-zone model. Three fuels (iso-octane, n-heptane, and natural gas) with different autoignition characteristics were used in this study. The developed multi-zone model was validated for mentioned fuels at various percentages of RG using six experimental cases of a single-cylinder CFR engine. The results showed that increasing reformer gas... 

    Numerical investigation of gaseous hydrogen and liquid oxygen combustion under subcritical condition

    , Article Energy and Fuels ; Volume 33, Issue 9 , 2019 , Pages 9249-9271 ; 08870624 (ISSN) Mardani, A ; Ghasempour Farsani, A ; Farshchi, M ; Sharif University of Technology
    American Chemical Society  2019
    Abstract
    This study is on combustion modeling of gaseous hydrogen and cryogenic liquid oxygen at the subcritical condition for the well-known Mascotte laboratory combustor. The proposed strategy relies on the hybrid Eulerian-Lagrangian framework in which the continuous phase is evaluated by Reynolds Average Navier-Stokes (RANS) equations and the quick discretization method. The dispersed phase of the combustion field is evaluated by the Discrete Phase Method (DPM). The Eddy Dissipation Concept (EDC) has been performed for combustion-turbulence interaction modeling. Effects of the turbulence model, chemical kinetic mechanism, equation of state, and inlet momentum jet flux are investigated in terms of... 

    Numerical Simulation of Cellular Structure of Detonation Wave and Evaluation of Linear Instability Analysis

    , Ph.D. Dissertation Sharif University of Technology Barkhordari, Alireza (Author) ; Farshchi, Mohammad (Supervisor)
    Abstract
    Experimental studies of regular cell structure of a weak detonation wave in a gaseous mixture of hydrogen and oxygen diluted with argon have shown that for a constant initial thermodynamic condition, the final cell size differs by repeating the tests. The question is that if these different final cell sizes for a constant initial condition are because of test errors, or the experiments would lead to a domain of solution in the form of different final cell sizes? Therefore, the aim of this study is to investigate, numerically, the evolution process and domain of variation of cellular structure of a weak detonation, and their dependency to unstable wavelengths obtained from linear instability... 

    Using Experimental Results and a Multi-Zone HCCI Combustion Model to Develop a Surrogate Diesel Fuel Autoignition Mechanism

    , M.Sc. Thesis Sharif University of Technology Akbari Ziarani, Samira (Author) ; Hosseini, Vahid (Supervisor)
    Abstract
    Real fuels contain hundreds of hydrocarbons such as linear and chain paraffins, naphthenes, olefins and aromatics.Behavior of this real fuels are represented by mixtures with simple compounds. Since engine with homogeneous charge compression ignition (HCCI) is a promising combustion concept able to provide very low NOx and PM diesel engine emissions while keeping good fuel economy, for use in vehicles requires kinetic reaction mechanism to simulate the hydrocarbons oxidation and it’s rules.combustion control is facing with basic problem in this engine.unlike conventional methods, . HCCI combustion is a kinetically controlled process and start of combustion will be controlled and dominanted... 

    Simulation of Hydrocarbon Waste-gas Combustion in Incinerator and Pollution Control

    , M.Sc. Thesis Sharif University of Technology Modarres, Mohammad Reza (Author) ; Darbandi, Masoud (Supervisor)
    Abstract
    Emission control, especially Carbon Monoxides (CO) as one of the major by-products of combustion processes, is one of the most serious challenges in burning waste-gases with high amounts of humidity and Carbon Monoxide. We investigated an oil waste-gas incinerator serving to a bitumen production line located in Pasargad Oil Company, Shazand, Arak, Iran. The aforementioned incinerator was criticized seriously for its high CO emissions. We were requested to find a solution to reduce the undesirable CO emission from that. Following the environmental standards, there is an upper limit of 150 ppm for the CO produced by an industrial waste oil incinerator. To present an inclusive solution for such... 

    Investigating the Effect of Electric Field on Chemical Reaction Rate

    , M.Sc. Thesis Sharif University of Technology Adani Basmenj, Hamed (Author) ; Nasimi, Ali Mohammad (Supervisor)
    Abstract
    The aim of this study is to find a formulation to investigate the catalytic effect of the electric field on the kinetic pathway of a chemical reaction. The catalytic effects of the electric field can be explained by the effect of the external electric field on the stability of the transition state relative to the reactants.The effect of the external electric field on the reaction rate for redox reactions have been proven, but this effect seemed unlikely for non redox reactions. Recently, the role of the electric field in the rate of such chemical reactions, as well as its catalytic activity,has been demonstrated experimentally and computationally. In previous studies, reactive components... 

    Kinetics Investigation of Environmental Pollutants Degradation in Advanced Oxidation Processes Using Metal Oxide Nanocatalysts

    , Ph.D. Dissertation Sharif University of Technology Nazari, Pegah (Author) ; Rahman Setayesh, Shahrbanoo (Supervisor)
    Abstract
    In this project, metal oxides loaded on different supports were used in the heterogeneous electro-Fenton (EF) process for organic pollutants removal. At first, Fe3O4/AC was synthesized for catechol degradation as a phenolic compound. 98.2% removal of catechol was achieved by operational conditions optimization. The catalytic activity of Fe3O4/AC was remained constant after 6 cycles. In the other study, reduced graphene oxide was used as a support for the magnetite nanoparticle catalyst. The catalytic activity of Fe3O4/rGO in EF degradation of reactive red 195 (RR195) dye was studied and 93.34% removal was obtained. Response surface methodology (RSM) was used and a quadratic model with... 

    Numerical and Experimental Analysis of Homogeneous Charge Compression Ignition with Normal Paraffins, Branched-chain Paraffins and Aromatics Combined Fuels

    , Ph.D. Dissertation Sharif University of Technology Reyhanian, Masoud (Author) ; Hosseini, Vahid (Supervisor) ; Mozafari, Ali Asghar (Supervisor)
    Abstract
    The purpose of this dissertation is to experimentally and numerically investigate the effect of molecular structure, composition, and physical and chemical properties of fuel on HCCI combustion. A well-equipped laboratory was set up to perform the required tests, capable of performing HCCI tests with different fuels. All tests used a single-cylinder diesel engine modified to operate in HCCI mode. Also, for numerical simulation, a chemical kinetic multi-zone model was developed to predict HCCI combustion behavior with appropriate accuracy. To investigate the effect of fuel chemical structure on HCCI combustion, three fuels, toluene, iso-octane and normal heptane, with entirely different... 

    Experimental and Numerical Investigations of Reactivity Controlled Compression Ignition (RCCI)Combustion Fueled by Diesel and Natural Gas

    , Ph.D. Dissertation Sharif University of Technology Zarrinkolah, Mohammad Taghi (Author) ; Hosseini, Vahid (Supervisor) ; Shamloo, Amir (Supervisor)
    Abstract
    In this thesis, reactivity controlled compression ignition (RCCI) combustion fueled by diesel and natural gas is experimentally and numerically investigated. Natural gas as a fuel with low reactivity is injected into the intake manifold, and diesel as a fuel with high reactivity is injected directly into the combustion chamber. One of the main goals of this thesis is to experimentally examine the effect of important parameters on combustion phasing control, operational range extension, and pollutants. Natural gas is one of the important sources of energy in Iran and the world. Using natural gas in internal combustion engines can cause methane to slip into the atmosphere and intensify the... 

    Aerosol modeling of soot nanoparticles in a turbulent diffusion flame using an extended detailed kinetic scheme

    , Article 52nd AIAA Aerospace Sciences Meeting - AIAA Science and Technology Forum and Exposition, SciTech 2014 ; 2014 Darbandi, M ; Ghafourizadeh, M ; Schneider, G. E ; Sharif University of Technology
    Abstract
    In this work, a hybrid finite volume element FVE method is extended to simulate the evolution of soot nanoparticles in a turbulent axisymmetric confined diffusion flame. The FVE method can handle irregular-shaped solution domains and maintain the underlying physical conservation principles. To consider the evolutionary process of soot nanoparticles including nucleation, coagulation, surface growth, and oxidation, a two-variable approach is employed. In this approach, the soot mass fraction and soot number density transport equations are solved using an extended detailed chemical kinetics. Considering the phenyl route to describe the nucleation process, soot inception is based on the... 

    Numerical simulation of turbulent reacting flow in a combustion chamber using detailed chemical kinetics

    , Article 51st AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition 2013 ; 2013 ; 9781624101816 (ISBN) Darbandi, M ; Ghafourizadeh, M ; Schneider, G. E ; Sharif University of Technology
    2013
    Abstract
    In this work, a hybrid finite-volume-element method is used to solve turbulent reacting flow in a combustion chamber considering detailed chemical kinetics. The hybrid unification enables the solver to treat the reacting flow in very complex geometries and to respect the required physical considerations fully. We employ two-equations standard κ-ω turbulence model incorporated with suitable wall functions to model the turbulence behavior. Assuming optically-thin gases, radiation effects are taken into account in our simulations. A flamelet combustion model is applied to consider the large detailed chemical kinetics, which can normally occur within combustion processes. Turbulence-chemistry... 

    Chemical kinetics Optimization for a DLE Combustor Optimization Using Numerical Method

    , Ph.D. Dissertation Sharif University of Technology Shakeri, Alireza (Author) ; Mazaheri, Karim (Supervisor)
    Abstract
    Control and reduction of gas turbines pollutants emissions are increasingly of major concern. Here we introduce and apply new algorithms for derivation of accurate and low cost skeletal chemical kinetics, optimization of global multi-step chemical kinetics, and optimization of geometry of Lean Premixed (LPM) dry low emission (DLE) combustors.A new reduction algorithm called SA-GEIE, based on sensitivity analysis of reaction mechanisms respect to ignition delay, flame temperature and pollutants concentration (NO and CO), is introduced. This algorithm is implemented to GRI-3.0 to produce a low cost methane oxidation skeletal mechanism with 118 reactions and 39 specie. The accuracy is assessed...