Development Of Combustion Model Research Articles

Modeling and Experimental Validation of Pre-Chamber Jet Penetration Considering Jet Density and Ejection Pressure Variations

Abstract Although pre-chamber (PC) is regarded as a promising solution to enhance ignition in lean-burn gas engines, a lack of comprehensive understanding of PC jet penetration dynamics remains. This study proposed a zero-dimensional (0-D) model for PC jet penetration, considering the mixing of combustion products and unburned gases and floating ejection pressure. A combustion completion degree was defined employing fuel property and heat release to estimate varying jet density. Pressure differences between PC and the main chamber (MC) were referred to as the ejection pressure. Then, this model was validated against experiments from a constant volume chamber and a rapid compression and expansion machine with CH4-H2 blends at different equivalent ratios. Results showed that the proposed model can provide a good prediction in stationary and turbulent fields with the calibrated model coefficient. The overall jet penetration exhibits a t0.5 dependence due to its single-phase characteristic and the relative lower density compared to ambient gas in MC. The flame propagation speed and heat release in PC influence the combustion completion degree at the start of jet ejection, the mass fraction of burned gas in jet increases with the equivalent ratio. Jet penetration is primarily driven by ejection pressure, with tip dynamics barely affected by the pressure difference after the peak. Tip penetration intensity increases with increased fuel equivalent ratio and H2 addition, owing to the faster flame propagation. These findings can offer useful suggestions for model-based design and combustion model development for gas engines.

Numerical modeling of combustion in gas engines with prechamber ignition

A numerical model is developed to predict the combustion processes in large-bore gas engines featuring prechamber ignition systems and being coupled with Computational Fluid Dynamics (CFD). The proposed combustion model is based on the simultaneous modeling of premixed and partially-premixed flames by an extended progress variable approach. By introducing an additional fuel scalar to track the externally injected fuel of the scavenged prechamber and depending on a gradient criteria of the fuel scalar, regions of locally premixed or partially-premixed state can be differentiated. The reaction rate for premixed combustion is described through a turbulent flame speed closure approach, whereas the partially-premixed combustion is described by a pre-tabulated flamelet chemistry approach. For the validation of the combustion model and its performance in the different flame propagation phases, that is, prechamber flame ignition and main-chamber flame propagation, experimental data of two large-bore gas engines with different operating conditions, prechamber configurations and engine geometries are taken into account. A good agreement of the simulations with the experimental results is shown for the variety of operating conditions and engine configurations. The developed combustion model is able to predict the combustion process in the prechamber as well as the ignition of the main chamber charge by means of the protruding flame jets through the prechamber nozzles. The prechamber ignition system accelerates the early flame phase and hence shortens the burning duration due to the deep-penetrating and turbulence-inducing flame jets in comparison to a conventional spark plug engine.

Role of Hydrogen in I.C Engines

The development of combustion models, paired with the usage of biofuels, has been viewed as an effective way to minimize pollutant emissions such as CO, HC, NOx, and smoke. Indeed, homogenous Charge Compression Ignition is a novel strategy to significantly reducing NOx emissions and smoke due to lower cylinder temperature and a higher rate of homogenous air fuel mixture as compared to compression ignition engines. The experimental findings demonstrated the maximum brake thermal efficiency, despite a 4.1% decrease compared to diesel in normal mode. Hydrogen energy is a key technical pathway for achieving carbon peak and neutrality. One method of utilizing hydrogen energy is through a direct injection engine. It has the advantage of increasing thermal efficiency and reducing aberrant combustion phenomena.The impact of using hydrogen to increase fuel economy and considerably reduce exhaust emissions. The use of hydrogen in S.I. and C.I. engines has been researched. Keywords: 1) Hydrogen. 2) Internal Combustion Engine. 3) Combustion with High Pressure Injection 4) Zero emissions.

Effects of turbulence on variations in early development of hydrogen and iso-octane flame kernels under engine conditions

The understanding and prediction of the early development of flame kernels are of high practical importance for the robust relight of aviation gas turbines and the control of cycle-to-cycle variations (CCV) of spark-ignition engines. CCV are known to correlate strongly with early flame kernel development and complicate the optimization of such engines in terms of safety, thermal efficiency, and engine emissions. The flame kernel initiated by a spark is initially small, in the very early combustion phase typically smaller than the size of the turbulent integral length scales. Therefore, the development of the flame kernel is dominated by local, intermittent flow fluctuations and can vary under the same nominal conditions. In this study, the effects of turbulence on the early development of premixed iso-octane and hydrogen turbulent flame kernels under realistic engine conditions are investigated through direct numerical simulations. Multiple realizations were simulated under the same nominal conditions for both fuels. Significant variations in flame kernel interactions with turbulence can be identified among different realizations. The fuel consumption rate varies by a factor of two, which is remarkable considering that only statistical differences in the local flow field are present between different realizations. Effects of different flow features of the initial flow fields on the flame kernel development were analyzed. It was found that the flow motion on the scale of the ignition radius, specifically the fluid deformation, which is characterized by the invariants of the strain rate tensor, determines the global shape of the kernel, while the variations of the kernel growth rate are mostly driven by the variations of the smallest turbulent scales. In particular, turbulence influences the flame surface area growth mainly through the tangential strain rate at the flame surface, which is shown to result from the small-scale turbulent motion. Due to differential diffusion effects, hydrogen and iso-octane exhibit significantly different flame responses to curvature, which is comprehensively studied for both fuels. The findings in this study will guide the development of combustion models that are capable to capture variations of the early flame kernels based on the local turbulence dissipation rate.

Kinetic Properties Study of H Atom Abstraction by CH3Ȯ2 Radicals from Fuel Molecules with Different Functional Groups.

The detailed kinetic properties of hydrogen atom abstraction by methylperoxy (CH3Ȯ2) radicals from alkanes, alkenes, dienes, alkynes, ethers, and ketones are systematically studied in this work. Geometry optimization, frequency analysis, and zero-point energy corrections were performed for all species at the M06-2X/6-311++G(d,p) level of theory. The intrinsic reaction coordinate calculation was consistently performed to ensure that the transition state connects the correct reactants and products, and one-dimensional hindered rotor scanning results were performed at the M06-2X/6-31G level of theory. The single-point energies of all reactants, transition states, and products were obtained at the QCISD(T)/CBS level of theory. High-pressure-limit rate constants of 61 reaction channels were calculated using conventional transition state theory with asymmetric Eckart tunneling corrections over the temperature range of 298.15-2000 K. Reaction rate rules for H atom abstraction by CH3Ȯ2 radicals from fuel molecules with different functional groups are constructed, which can be used in the development of combustion models of these fuels and fuel types. In addition, the influence of the functional groups on the internal rotation of the hindered rotor is also discussed.

The reactions of 2-furfuryl alcohol with hydrogen atom: A theoretical calculation and kinetic modeling analysis

The rate constants for H-initiated reactions of 2-furfuryl alcohol (2FFOH) were calculated for the first time by a high-level quantum chemical method combined with the Rice–Ramsperger–Kassel–Marcus (RRKM) theory/Master equation method. A detailed potential energy surface was constructed by the CCSD(T)/CBS//M06–2X/def2-TZVP method, involving H-abstraction, initial H-addition, adduct-subsequent pathways and interconnected conversion pathways. The H-addition reaction on the β-carbon and δ-carbon sites to form bimolecular products 2-methylene-2,3-dihydrofuran plus OH and 2-methylene-2,5-dihydrofuran plus OH were found to be the major product channels at high temperatures. No significant pressure dependence is observed for the total rate constants of 2FFOH + H. However, the overall kinetics behavior does not reflect the site characteristics, i.e., the site-specific rate constants for each reaction channel show different temperature and pressure dependences. The total rate constants via the H-addition mechanism are higher by factors of 3.3–10 than those via H-abstraction channels under all studied conditions. The present updated kinetic model obtained by applying these new calculated rate constants can better predict 2FFOH decomposition, especially at 30 Torr, and it can also lead to good predictions of the speciation profiles (e.g., vinyl ketene) during 2FFOH pyrolysis. The data calculated in the present work can provide valuable information for the development of combustion models of furan-based biofuels.

Exploring the kinetics and thermochemistry effects on C2-C6 alkene combustion chemistry by ȮH radical; Implications for Combustion Modeling and Simulation

A systematic theoretical study of C2 to C6 alkenes reacting with ȮH radical to explore the kinetics and thermochemistry effects are carried out in this work. The geometries and frequencies of 15 reactants, 15 pre-reaction complexes, 93 transition states, and 93 products are optimized at M06-2X/6-311++G(d,p) level of theory. The hindrance potentials for low-frequency torsional modes are treated at M06-2X/6–31 G level of theory. Single-point energies for all species involved in this work are calculated at spin-unrestricted CCSD(T)/CBS level of theory with basis-set correction from MP2/aug-cc-pVnZ (n = T and Q). High-pressure-limit rate constants for H-atom abstraction reaction channels and pressure-dependent rate constants for addition reaction channels are calculated by solving the Rice-Ramsperger Kassel-Marcus/Master Equation (RRKM/ME) implemented in the Master Equation System Solver (MESS) program, coupled with variational transition-state theory (VTST). Temperature-dependent thermochemical properties for all species and related radicals have been computed using a combination of composite methods to provide adequate accuracy results for modeling application. For straight-chain alkenes, the temperature range, in which the addition channel dominates, shifts to lower temperatures as the alkene gets longer. Hydrogen-atom abstractions from the allylic site of alkenes are the dominant reaction channels at high temperatures. The H-atom abstraction reactions from secondary alkylic and primary alkylic CH sites become more important as substituent groups become larger. High-pressure-limit and pressure-dependent rate constants calculated in this work have been extensively compared with the experimental and theoretical results available in the literature, and they show overall good agreement. The simulation results show that the calculated rate constants in this work have positive influences to the accuracy of simulation results at most reaction conditions. However, at some of the reaction conditions, thermochemical data have much more important influence to the simulation results at low temperature ranges. Rate constants obtained in this work and detailed branching ratio for each reaction can serve as a guidance in alkene combustion model development.

Comprehensive study of the low-temperature oxidation chemistry by synchrotron photoionization mass spectrometry and gas chromatography

Comprehensive analysis of the low-temperature oxidation intermediates, including the reactive intermediates and isomers, is crucial to develop the low-temperature oxidation models of the fuels. In this aim, the complementary analysis by different analytic methods is needed. Furthermore, the cross check by different analytic methods increases the fidelity of the experiment data. In this work, we developed a jet-stirred reactor (JSR) system that coupled to the synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS) and gas chromatography (GC) analysis. The JSR was designed to couple the SVUV-PIMS and GC, and the temperature homogeneity and mixing of the JSR was examined by a CFD simulation. The SVUV-PIMS system was developed to have a mass resolution of ca. 5000 at m/z 100. The GC system included a flame ionization detector (FID), thermal conductivity detector (TCD), and a mass spectrometer (MS). This newly developed setup was validated by repeating the oxidation data of n-heptane in the literature. A good agreement was observed between the two datasets. The low-temperature oxidation of n-butane was then studied to show the advantage of this setup, i.e., the simultaneous and comprehensive measurement of the low-temperature oxidation products. Specifically, the SVUV-PIMS enables the separation of the C/H/O composition of the intermediates, the measurement of formaldehyde and the peroxide intermediate, while the GC analysis gives a better separation of the oxygenated isomers and the quantification of the species that the SVUV-PIMS has difficult in quantifying. The experimental method developed in this work is valuable to study the fuel low-temperature oxidation chemistry, to reveal the species pool, and to provide reliable mole fraction data for the validation and development of combustion models.

ОБОСНОВАНИЕ РЕСУРСОЭФФЕКТИВНОСТИ ТЕХНОЛОГИЙ СЖИГАНИЯ ВОДОУГОЛЬНЫХ ТОПЛИВ С ДОБАВКАМИ БИОМАССЫ

Одной из наиболее актуальных проблем современности является экологическая безопасность. Загрязнение атмосферы Земли в последние десятилетия обусловлено в значительной степени работой тепловых электрических станций, сжигающих уголь, на территориях наиболее развитых государств (США, Китай, Индия и др.). Использование нового класса топлива – био-водоугольного – может позволить существенно снизить выбросы антропогенных газов, образующихся при сжигании углей в топках паровых и водогрейных котлов, в атмосферу Земли, расширить сырьевую базу современных тепловых электрических станций и повысить в целом ресурсоэффективность угольной теплоэнергетики. Цель: исследование влияния концентрации древесной биомассы в жидких композиционных топливах на интегральные характеристики процесса зажигания капель био-водоугольных топлив в условиях высокотемпературного нагрева. Объект: водоугольная суспензия на основе угля марки Т, воды и еловой хвои. Экспериментальные исследования проведены при следующих массовых концентрациях угля и биомассы: 50/0 %, 45/5 %, 40/10 %, 35/15 %, соответственно (50 % – вода). Метод: экспериментальное определение с использованием высокоскоростной видеокамеры Photron FASTCAM СА4 временных характеристик процессов зажигания капель био-водоугольных суспензий в условиях, соответствующих по интенсивности нагрева камерам сгорания паровых и водогрейных котлов; регистрация температуры среды с использованием хромель-алюмелевых термопар. Результаты. Установлено влияние массовой концентрации лесного горючего материала на времена задержки зажигания (tign) водоугольных топлив. Показано, что при содержании в топливной композиции 15 % биомассы времена задержки зажигания уменьшаются более чем в три раза по сравнению с водоугольным топливом без добавления биомассы при относительно низких температурах топочной среды. Результаты выполненных экспериментальных исследований также являются базой для развития моделей горения жидких композиционных топлив.

Combustion and Emission Characteristics of Hydrous Ethanol–Gasoline Blends with Co-solvents in Spark-ignited Single cylinder Engine

In Brazil, hydrous ethanol is blended with gasoline and is successfully implemented in flexi fuel engines and it has the potential to directly compete with fossil fuels. However, the Ethanol Blending Program of India has not been successful due to non-availability of sugarcane molasses and could not achieve its 5% blending target based on the literature review study. Hydrous ethanol with co-solvent is proposed in this work as a promising blending oxidant instead of energy-intensive anhydrous ethanol in gasoline. This research work also delves into the challenges of using hydrous ethanol in gasoline blended fuel such as water tolerance, fuel properties, and fuel selection. The selected fuel sample 2EW30TBA10, which contains 30% hydrous ethanol and 10% TBA (t-butyl alcohol), and gasoline was selected based on water tolerance of the blended sample and stability. The combustion and emission characteristics of the selected fuel sample 2EW30TBA10 are studied in 4-stroke, single cylinder, water cooled engine, and the performances are compared to base fuel (E0) and reference fuel (E10). The significant contributions of the present research work are the development of combustion model using MATLAB using: Apparent heat release model (Model1) and Combustion pressure method (Model-2) and the results are validated using modified Wiebe function. There was an increase in brake thermal efficiency by 5% compared to base fuel (E0) and the specific fuel consumption (sfc) for 2EW30TBA10 fuel sample is 290 g/KWh as compared to E10, which is 300 g/KWh and for Petrol (E0), sfc is 360 g/KWh. There was a reduction in CO and HC emission compared to base fuel (E0) and an increase in NOx emissions. The cyclic variations of experimental results are validated using a non-linear regression model.

A Fundamental Study of the Cocombustion of Coke and Charcoal during Iron Ore Sintering

In a global carbon cycle, the net greenhouse gas (e.g., CO2) emissions can be significantly reduced if fossil fuels could be substituted with renewable and cleaner biomass-derived fuels. In the traditional iron ore sintering process, the complete replacement of coke, a coal-derived fuel, with charcoal is not possible because the two fuels have very different properties and combustion behaviors, resulting in an unacceptable deterioration in sintering performance. Consequently, only low substitution ratios can be tolerated. However, research has indicated that this ratio can be increased through altering the combustion behavior of charcoal. Most fuel particles in a sintering bed have an encapsulated layer of fine ore and flux particles. Through intentionally altering the properties of this adhering layer, combustion behavior can be altered, leading to improved sintering performance. This work uses a newly developed combustion model and a 2D sintering model to appropriately describe the combustion behavior i...

Modelling and analysis of the combustion behaviour of granulated fuel particles in iron ore sintering

The combustion behaviour of solid fuels – for example, coke and biomass char – is an important consideration in iron ore sintering as it determines heat availability for the melt formation process. This behaviour is influenced by the presence of an adhering layer of fine material around the fuel particles. In this study, analytical results for the combustion of single granulated fuel particles – applicable to all Thiele modulus (ϕh) values – are presented. For the conversion of an isothermal carbon particle, the conversion parameter α is found to depend on ϕh and the effectiveness factor ηh. For ϕh < 9, α can be approximated by 0.4ηh, while for ϕh > 9, α approaches ηh/3. The relationship between α and ηh is not altered by the presence of an adhering layer. However, at high temperatures and for reactive fuels, an adhering layer influences the combustion rate significantly. The fuel combustion process in iron ore sintering can be viewed as occurring in three regimes depending on factors such as fuel size, reactivity and temperature. To investigate the effect of fuel properties on sintering performance, the developed combustion model is integrated into a 2D iron ore sintering model. Good comparisons are obtained between model results and experimental data from laboratory sintering tests. In the study of fuel types, model results indicate that when biomass char replaced coke there was significant lowering of flame front temperature and combustion efficiency, while the speed of the flame front down the bed accelerated. These changes can be explained by the higher reactivity of the biomass char and its physical properties which influence the granulation process – resulting in changes in the thickness of the adhering layer and combustion behaviour. The flow-on effect of this on sintering performance is consistent with reported experimental results by other researchers.

Development of Combustion Model in the Industrial Cyclone-Calciner Furnace Using CFD-Modeling

Development of Combustion Model in the Industrial Cyclone-Calciner Furnace Using CFD-Modeling

Characteristic Chemical Time Scale Analysis of a Partial Oxidation Flame in Hot Syngas Coflow

Characteristic chemical time scale analysis plays a key role in the understanding of turbulence–chemistry interaction in turbulent combustion research and is also an important basis for the selection or development of combustion models in turbulent combustion modeling. A new method named main direction identification (MDID) was developed based on the modification of the CTS-ID (chemical time scale identification) method to achieve the function of identifying the characteristic time scale. Direction weight factor combined with mole fraction limit were used as a criterion in MDID to determine the characteristic time scale. MDID was applied to study characteristic chemical time scales of a CH4–O2 inverse diffusion flame in hot syngas coflow, which is a model flame developed before to study the combustion process in partial oxidation reformers. Results show that the chemical time scale given by the MDID method is about 10–5 s in the combustion area and 10–2 s in the reforming area. The main reaction pathway w...

A control-oriented model of turbulent jet ignition combustion in a rapid compression machine

Turbulent jet ignition combustion is a promising concept for achieving high thermal efficiency and low NOx (nitrogen oxides) emissions. A control-oriented turbulent jet ignition combustion model with satisfactory accuracy and low computational effort is usually a necessity for optimizing the turbulent jet ignition combustion system and developing the associated model-based turbulent jet ignition control strategies. This article presents a control-oriented turbulent jet ignition combustion model developed for a rapid compression machine configured for turbulent jet ignition combustion. A one-zone gas exchange model is developed to simulate the gas exchange process in both pre- and main-combustion chambers. The combustion process is modeled by a two-zone combustion model, where the ratio of the burned and unburned gases flowing between the two combustion chambers is variable. To simulate the influence of the turbulent jets on the rate of combustion in the main-combustion chamber, a new parameter-varying Wiebe function is proposed and used for the mass fraction burned calculation in the main-combustion chamber. The developed model is calibrated using the least-squares fitting and optimization procedures. Experimental data sets with different air-to-fuel ratios in both combustion chambers and different pre-combustion chamber orifice areas are used to calibrate and validate the model. The simulation results show good agreement with the experimental data for all the experimental data sets. This indicates that the developed combustion model is accurate for developing and validating turbulent jet ignition combustion control strategies. Future work will extend the rapid compression machine combustion model to engine applications.

Systematic Analysis Strategies for the Development of Combustion Models from DNS: A Review

Direct numerical simulation (DNS) of turbulent combustion is a research area becoming ever more important and has been established as a powerful tool in combustion science to complement theory and experiment. The rapid advancement of supercomputing has lately enabled a series of interesting DNS studies with some practical relevance. This advent along with the severe lack of experimental data sets with a high degree of data completeness motivates the use of DNS for combustion modeling. Simultaneously, enormous progress is made in the utilization of DNS data as a valuable resource to develop and validate combustion models from DNS data. In this paper, several promising and useful analysis techniques are identified and reviewed. Their usefulness is demonstrated on the basis of selected modeling studies, which comprise examples of various commonly employed modeling frameworks, and which integrate DNS in a systematic way into the process of model development and validation. It is expected that the modeling routes outlined here can be used to address currently open modeling questions and to advance the fidelity of existing models.

Combustion Analysis of a Spark-Ignition Engine Fueled on Methane-Hydrogen Blend with Variable Equivalence Ratio Using a Computational Fluid Dynamics Code

AbstractThe main scope of the present work is to examine the combustion processes inside the cylinder of a spark-ignition (SI) engine fueled with a methane-hydrogen blend with variable equivalence ratio. This combustion analysis is conducted with a computational fluid dynamics code, which is an in-house code and has been initially developed for simulating hydrogen-fueled SI engines. Lately, its combustion model has been extended with the introduction of methane fuel and various routes are used for the calculation of the nitric oxide (NO) emissions. The first task is to conduct the validation of this code, focusing on this newly developed combustion model. This validation is based on both performance and emissions comparison with experimental data, in order to gain a complete view of the code capabilities. The available experimental data are from a two-cylinder SI engine with complete sets of measured values. For the current study, it was decided to focus on the effect of the equivalence ratio (from 0.7 up...

Advancing predictive models for particulate formation in turbulent flames via massively parallel direct numerical simulations.

Combustion of fossil fuels is likely to continue for the near future due to the growing trends in energy consumption worldwide. The increase in efficiency and the reduction of pollutant emissions from combustion devices are pivotal to achieving meaningful levels of carbon abatement as part of the ongoing climate change efforts. Computational fluid dynamics featuring adequate combustion models will play an increasingly important role in the design of more efficient and cleaner industrial burners, internal combustion engines, and combustors for stationary power generation and aircraft propulsion. Today, turbulent combustion modelling is hindered severely by the lack of data that are accurate and sufficiently complete to assess and remedy model deficiencies effectively. In particular, the formation of pollutants is a complex, nonlinear and multi-scale process characterized by the interaction of molecular and turbulent mixing with a multitude of chemical reactions with disparate time scales. The use of direct numerical simulation (DNS) featuring a state of the art description of the underlying chemistry and physical processes has contributed greatly to combustion model development in recent years. In this paper, the analysis of the intricate evolution of soot formation in turbulent flames demonstrates how DNS databases are used to illuminate relevant physico-chemical mechanisms and to identify modelling needs.

Combustion modelling for a diesel engine with multi-stage injection using a stochastic combustion model

This study presents the development of a phenomenological combustion model to simulate the combustion processes in diesel engines with multi-stage fuel injection. A newly developed zero-dimensional spray propagation model and a model of spray-to-spray interaction were combined with a stochastic combustion model, which had been developed for the calculation of diesel combustion in the case of single-stage injection. In this model, the combustion chamber is divided into an ambient air zone and several spray zones, where the spray formed by each injection is treated as a spray zone. The turbulent mixing, the fuel evaporation, the heat loss and the chemical reactions are calculated in each spray zone separately. A zero-dimensional spray propagation model including the spray evolution after the end of injection and a model of interaction between the sprays from sequential injections are developed to describe the spray behaviour for the case of multi-stage injection. Then the developed combustion model is validated against the experimental data from a single-cylinder direct-injection diesel engine with two-stage pilot–main injection, in which the pilot injection conditions are varied with a fixed main-injection timing. Based on the analysis of the heat release rate, the entrainment rate and the microscopic information inside the spray, such as the probability density function of the equivalence ratio, the effects of the wall impingement and the interaction between adjacent sprays on the fuel–air mixing rate and the entrainment rate are formularized and employed to reproduce the measured histories of the heat release rate. The reduction in the fuel–air mixing rate is considered when the spray flows into the squish region after wall impingement, which is effective in obtaining the measured decrease in the heat release of the pilot spray with advancing pilot injection timing. The effects of the wall impingement of the main spray and the interaction between adjacent sprays are modelled to reproduce the heat release rate during the initial part and later part of the mixing-controlled combustion. After these improvements, the heat release rates of the test engine when varying the pilot injection conditions were successfully predicted.

An advanced combustion model coupled with detailed chemical reaction mechanism for D.I diesel engine simulation

A multi-dimensional computational fluid dynamics (CFD) modeling was conducted on a direct injection turbo-charged diesel engine based on KIVA-4 code under full and mid engine loads. Multi-component fuel evaporation model of KIVA-4 was used and coupled with advanced combustion chemistry to generate a multi-component fuel combustion model by integrating CHEMKIN II into the KIVA-4 code. As the coding schema of KIVA-4 in the case of data/parameter allocation, etc. was different compared to previous version of KIVA-3V, a considerable amount of FORTRAN programming was performed in order to develop a multi-component fuel combustion model. The developed combustion model was capable of modeling combustion process of number of chemical species as the components of direct injected liquid fuel. Comparing to the single component fuel combustion model, new model is capable of comprehensive combustion modeling of blend fuel and heavy hydro-carbon fuels. Furthermore, spray breakup and collision models were changed to more advanced Kelvin–Helmholtz and Rayleigh–Taylor (KH–RT) and O’Rourke models, respectively. The model was used to simulate direct injected diesel engine under full and mid engine loads at three engine speed conditions. Extracted temporal and spatial results for equivalence ratio distribution inside the combustion chamber showed that under full load condition, a considerable amount of fuel was trapped in piston bowl after initiation of the injection process where such fuel rich local regions provide the potential for production of higher soot emission. Mean value of the fuel concentration history showed that the ignition delay was increased under mid engine load at all engine speeds producing higher amounts of unburned hydro carbons and carbon monoxide. By reducing engine load and speed, output power was decreased as well. However, same trend was not reported for the indicated thermal efficiency as the middle engine speed in considered engine loads, had slightly higher efficiency.