Multi-dimensional Computational Fluid Dynamics Model Research Articles

Application of the Optimized Decoupling Methodology for the Construction of a Skeletal Primary Reference Fuel Mechanism Focusing on Engine-Relevant Conditions

For the multi-dimensional simulation of the engines with advanced compression-ignition combustion strategies, a practical and robust chemical kinetic mechanism is highly demanded. Decoupling methodology is effective for the construction of skeletal mechanisms for long-chain alkanes. To improve the performance of the decoupling methodology, further improvements are introduced based on recent theoretical and experimental works. The improvements include: (1) updating the H2/O2 sub-mechanism; (2) refining the rate constants in the HCO/CH3/CH2O sub-mechanism; (3) building a new reduced C2 sub-mechanism; and (4) improving the large-molecule sub-mechanism. With the improved decoupling methodology, a skeletal primary reference fuel (PRF) mechanism is developed. The mechanism is validated against the experimental data in shock tubes, jet-stirred reactors, premixed and counterflow flames for various PRF fuels covering the temperature range of 500–1450 K, the pressure range of 1–55 atm, and the equivalence ratio range of 0.25¬–1.0. Finally, the skeletal mechanism is coupled with a multi-dimensional computational fluid dynamics model to simulate the combustion and emission characteristics of homogeneous charge compression ignition (HCCI) engines fueled with iso-octane and PRF. Overall, the agreements between the experiment and prediction are satisfactory.

Study of dimethyl ether homogeneous charge compression ignition combustion process using a multi-dimensional computational fluid dynamics model

A multi-dimensional Computational Fluid Dynamics (CFD) model is adopted to investigate the Dimethyl Ether (DME) Homogeneous Charge Compression Ignition (HCCI) combustion and emissions processes. A reduced chemical mechanism is coupled with a CFD code in the multi-dimensional CFD model. The pressure profiles predicted by the multi-dimensional CFD model are more accurate than the single-zone model, because the wall heat transfer and in-cylinder turbulence flow are considered. During the combustion process the in-cylinder temperature distribution undergoes a process from inhomogeneity to homogeneity. Both low and high temperature reactions don't occur simultaneously throughout the cylinder. The low temperature reactions are initiated near the piston surface and squish region, and the high temperature reactions are initiated in the combustion chamber core zone and squish region. Emission analysis indicates that unburned fuel and CH 2O account for the majority of unburned hydrocarbon (HC). The unburned fuel, CH 2O and CO emission mainly resides in the bottom, middle and upper part of the piston-ring crevice region, respectively. With the decrease of DME equivalence ratio, unburned fuel and CO increases. However, when the DME equivalence ratio is too small, CO emission decreases.

Modeling the Effects of Variable Intake Valve Timing on Diesel HCCI Combustion at Varying Load, Speed, and Boost Pressures

Homogeneous charge compression ignition (HCCI) operated engines have the potential to provide the efficiency of a typical diesel engine, with very low NOx and particulate matter emissions. However, one of the main challenges with this type of operation in diesel engines is that it can be difficult to control the combustion phasing, especially at high loads. In diesel HCCI engines, the premixed fuel-air charge tends to ignite well before top dead center, especially as load is increased, and a method of delaying the ignition is necessary. The development of variable valve timing (VVT) technology may offer an important advantage in the ability to control diesel HCCI combustion. VVT technology can allow for late intake valve closure (IVC) times, effectively changing the compression ratio of the engine. This can decrease compression temperatures and delay ignition, thus allowing the possibility to employ HCCI operation at higher loads. Furthermore, fully flexible valve trains may offer the potential for dynamic combustion phasing control over a wide range of operating conditions. A multidimensional computational fluid dynamics model is used to evaluate combustion event phasing as both IVC times and operating conditions are varied. The use of detailed chemical kinetics, based on a reduced n-heptane mechanism, provides ignition and combustion predictions and includes low-temperature chemistry. The use of IVC delay is demonstrated to offer effective control of diesel HCCI combustion phasing over varying loads, engine speeds, and boost pressures. Additionally, as fueling levels are increased, charge mixture properties are observed to have a significant effect on combustion phasing. While increased fueling rates are generally seen to advance combustion phasing, the reduction of specific heat ratio in higher equivalence ratio mixtures can also cause noticeably slower temperature rise rates, affecting ignition timing and combustion phasing. Variable intake valve timing may offer a promising and flexible control mechanism for the phasing of diesel HCCI combustion. Over a large range of boost pressures, loads, and engine speeds, the use of delayed IVC is shown to sufficiently delay combustion in order to obtain optimal combustion phasing and increased work output, thus pointing towards the possibility of expanding the current HCCI operating range into higher load points.

Validation of engine combustion models against detailed in-cylinder optical diagnostics data for a heavy-duty compression-ignition engine

Three different approaches for modelling in-cylinder compression-ignition engine processes for partially premixed combustion modes are compared with experimentally observed cylinder pressure and in-cylinder images of liquid- and vapour-fuel penetration, ignition, combustion, and soot formation in an optically accessible heavy-duty direct injection engine. A multi-dimensional computational fluid dynamics model for engine combustion, KIVA-3V, served as a common platform into which three different combustion submodels were integrated: (1) characteristic time combustion (KIVA-CTC); (2) representative interactive flamelet (KIVA-RIF); and (3) direct integration using detailed chemistry (KIVA-CHEMKIN). Three different engine operating strategies with significant premixing of fuel and air prior to ignition were investigated: Low-temperature combustion achieved by charge dilution, with fuel injection either (1) early, or (2) late in the engine cycle, and (3) long ignition delay, high-temperature combustion (i.e. no charge dilution) with fuel injection near top dead centre of the piston stroke. Comparison of simulated cylinder pressure and heat-release rates with the experimental results shows that all the combustion submodels predict the cylinder pressures and heat-release rates reasonably well, but predictions of in-cylinder phenomena were significantly different among the submodels. The KIVA-CHEMKIN submodel predictions agree best with experimental observations of the location of ignition sites and the spatial distribution of soot and OH. The KIVA-RIF model, which uses global quantities to account for turbulence-chemistry interactions, under-predicts the flame lift-off, while ignition sites and species distributions are broader than observed experimentally. The KIVA-CTC submodel greatly over-predicts the spatial extent and total amount of in-cylinder soot.

Formation of Perfluoropolyether Coatings by the Rapid Expansion of Supercritical Solutions (RESS) Process. Part 1: Experimental Results

The rapid expansion of supercritical solutions (RESS) process is a promising environmentally benign technology for fine droplet or particle formation. The absence of organic solvents and narrow size distribution of RESS precipitates make this process attractive for polymer coating applications. In our work, this technique has been used to produce droplets of perfluoropolyethers from CO2 solutions without the aid of cosolvents for the coating of porous materials applied in monumental and civil infrastructures. The present work is aimed at gaining an understanding of the relationship between droplet and spray characteristics and RESS process conditions. As such, a combined experimental/computational approach is applied to a representative binary system consisting of a low-molecular-weight perfluoropolyether diamide (PFD) dissolved in supercritical CO2. Part 1 of this work presents phase equilibria measurements and polymer droplet size characterizations under different operating conditions. The effects of temperature, solute concentration, and nozzle configuration on droplet and spray characterization and transfer efficiency are discussed. Part 2 of this work presents a multidimensional computational fluid dynamics model of the RESS expansion process and describes the use of the model in further analyzing and interpreting experimental data.