Related papers: Skeletal Reaction Models for Methane Combustion
Growing evidence has indicated that the global composition distribution plays an indisputable role in interpreting observational data. 3D general circulation models (GCMs) with a reliable treatment of chemistry and clouds are particularly…
Suprathermal fusion reactions, initiated by energetic particles slowing down and scattering in dense plasmas, can modify the burn dynamics at inertial confinement fusion (ICF) regimes. A 0D time-dependent Monte-Carlo code has been developed…
The article investigates liquid oxygen (LOx)-methane supercritical combustion dynamics in a multi-element rocket scale combustor using large eddy simulation (LES). A complex framework of real gas thermodynamics and flamelet generated…
Bio-oil molecule assessment is essential for the sustainable development of chemicals and transportation fuels. These oxygenated molecules have adequate carbon, hydrogen, and oxygen atoms that can be used for developing new value-added…
This paper demonstrates the ability of neural networks to reliably learn the nonlinear flame response of a laminar premixed flame, while carrying out only one unsteady CFD simulation. The system is excited with a broadband, low-pass…
The prediction of auto-ignition delay times in HCCI engines has risen interest on detailed chemical models. This paper described a validated kinetic mechanism for the oxidation of a model Diesel fuel (n-decane and α-methylnaphthalene).…
Translating metabolic networks into dynamic models is difficult if kinetic constants are unknown. Structural Kinetic Modelling (SKM) replaces reaction elasticities by independent random numbers. Here I propose a variant that accounts for…
Developing accurate models for chemical reactors is often challenging due to the complexity of reaction kinetics and process dynamics. Traditional approaches require retraining models for each new system, limiting generalizability and…
Combustion modes in locally stratified dual-fuel (DF) mixtures are numerically investigated for methanol n-dodecane blends under engine-relevant pressures. In the studied constant-volume numerical setup, methanol acts as a background…
Efficient chemical kinetic model inference and application in combustion are challenging due to large ODE systems and widely separated time scales. Machine learning techniques have been proposed to streamline these models, though strong…
Reaction-diffusion models are widely used to study spatially-extended chemical reaction systems. In order to understand how the dynamics of a reaction-diffusion model are affected by changes in its input parameters, efficient methods for…
Methane autothermal reforming has been studied using comprehensive, detailed microkinetic mechanisms, and a hierarchically reduced rate expression has been derived without apriori assumptions. The microkinetic mechanism is adapted from…
The ability to predict accurate thermodynamic and kinetic properties in biomolecular systems is of both scientific and practical utility. While both remain very difficult, predictions of kinetics are particularly difficult because rates, in…
This paper establishes a data-driven modeling framework for lean Hydrogen (H2)-air reaction rates for the Large Eddy Simulation (LES) of turbulent reactive flows. This is particularly challenging since H2 molecules diffuse much faster than…
To effectively simulate the combustion of hydrocarbon-fueled supersonic engines, such as rocket-based combined cycle (RBCC) engines, a detailed mechanism for chemistry is usually required but computationally prohibitive. In order to…
There currently exist no quantitative methods to determine the appropriate conditions for solid-state synthesis. This not only hinders the experimental realization of novel materials but also complicates the interpretation and understanding…
Combustion within a two-dimensional turbine stator passage is numerically investigated in the context of the turbine-burner concept using a Reynolds-Averaged Navier-Stokes framework coupled with a novel flamelet model. The formulation links…
Kinetic Monte-Carlo simulation is applied to study the partial oxidation of methane over a nickel catalyst. Based on the Langmuir-Hinshelwood mechanism, the kinetic behavior of this reaction is analyzed and the results are compared with…
This paper presents a new chemical kinetic model developed for the simulation of auto-ignition and combustion of engine surrogate fuel mixtures sensitized by the presence of NOx. The chemical mechanism is based on the PRF auto-ignition…
This paper presents an approch for modeling with one single kinetic mechanism the chemistry of the autoignition and combustion processes inside an internal combustion engine, as well as the chemical kinetics governing the post-oxidation of…