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Thermodynamic and flash equilibrium calculations are the cornerstones of simulation process calculations. The iterative approach, a widely used nonlinear problem-solving technique, relies on derivative calculations throughout the procedure…
Modelling the sudden depressurisation of superheated liquids through nozzles is a challenge because the pressure drop causes rapid flash boiling of the liquid. The resulting jet usually demonstrates a wide range of structures, including…
An unconfined strongly swirled flow is investigated for different Reynolds numbers using particle image velocimetry (PIV) and Large Eddy Simulation (LES) with a Thickened Flame (TF) model. Both reacting and non-reacting flow results are…
A one-dimensional, dynamic, two-phase, isothermal model of proton exchange membrane fuel cell systems using a finite-difference approach has been developed. This model balances the simplicity of lumped-parameter models with the detailed…
Reservoir simulators utilize numerical techniques to solve the governing equations of fluid flow in porous media and they are essential tool for oil and gas fields development. In practical reservoir simulation, the finite difference method…
Simulating photo-dissociation processes is a challenging task when the number of states involved is significantly large. We present an ab-initio quantum model for strong field photo-dissociation processes which incorporates rotational…
Implementing multicomponent diffusion models in reacting-flow simulations is computationally expensive due to the challenges involved in calculating diffusion coefficients. Instead, mixture-averaged diffusion treatments are typically used…
This paper presents an experimental methodology to measure the height of the flame using convolution image processing and statistical analysis. The experimental setup employs a burner with four circularly arranged nozzles. Six different…
The accurate treatment of electronic effects in multi-million atom simulations of radiation-induced collision cascades is crucial for reliable predictions of primary radiation damage. In this work, we explore the performance of a recently…
We present a differentiable weak-form learning approach for accelerating finite element simulations. Rather than introducing black-box source terms in the strong form of the governing equations, we augment the momentum equation directly in…
The use of machine learning algorithms to predict behaviors of complex systems is booming. However, the key to an effective use of machine learning tools in multi-physics problems, including combustion, is to couple them to physical and…
Dual fuel engines can achieve high efficiencies and low emissions but also can encounter high cylinder-to-cylinder variations on multi-cylinder engines. In order to avoid these variations, they require a more complex method for combustion…
We propose a unified volumetric combustion simulator that supports general wooden structures capturing the multi-phase combustion of charring materials. Complex geometric structures can conveniently be represented in a voxel grid for the…
We propose an efficient simulation algorithm based on the dissipative particle dynamics (DPD) method for studying electrohydrodynamic phenomena in electrolyte fluids. The fluid flow is mimicked with DPD particles while the evolution of the…
We present an immersed boundary method to simulate the creeping motion of a rigid particle in a fluid described by the Stokes equations discretized thanks to a finite element strategy on unfitted meshes, called Phi-FEM, that uses the…
The present paper deals with the numerical study of high pressure LOx/H2 or LOx/hydrocarbon combustion for propulsion systems. The present research effort is driven by the continued interest in achieving low cost, reliable access to space…
We develop a computational method for modeling electrostatic interactions of arbitrarily-shaped, polarizable objects on colloidal length scales, including colloids/nanoparticles, polymers, and surfactants, dispersed in explicit ion…
Molecular dynamics simulations are a powerful tool to study diffusion processes in battery electrolyte and electrode materials. From a single molecular dynamics simulation many properties relevant to diffusion can be obtained, including the…
A two-dimensional model is proposed for energy efficiency assessment through the simulation of heat transfer in building envelopes, considering the influence of the surrounding environment. The model is based on the \DF ~approach that…
Thermal multi-phase flow simulations are indispensable to understanding the multi-scale and multi-physics phenomena in metal additive manufacturing (AM) processes, yet accurate and robust predictions remain challenging. This book chapter…