[PDF][PDF] DETCHEMTM

O Deutschmann, S Tischer, S Kleditzsch… - 2020 - detchem.com
… The DETCHEM software package consequently applies detailed models for the description
of the chemical reactions and transport processes. It has been designed for a better …

Numerical simulation of a structured catalytic methane reformer by DUO: The new computational interface for OpenFOAM® and DETCHEM

M Hettel, C Diehm, H Bonart, O Deutschmann - Catalysis Today, 2015 - Elsevier
… for the joint utilization of these two programs. OpenFOAM ® [13] … DETCHEM™ [15] is a
commercial software package, being … The external DETCHEM programs solve the boundary layer …

Multiscale microkinetic modelling of carbon monoxide and methane oxidation over Pt/γ-Al2O3 catalyst

L Montesano, P Lott, L Maier… - … on Modeling of …, 2022 - publikationen.bibliothek.kit.edu
… Simulations were carried out using the DETCHEMCHANNEL software [3] and show a
remarkable difference, especially regarding the predicted ignition temperature. This different …

[PDF][PDF] Partial Oxidation of Natural Gas in a Piston Engine: Modeling and Simulation

H Goßler - 2014 - itcp.kit.edu
programs. First, a comparison was made against DETCHEMBATCH, a program which is part
of the DETCHEM software package. … available CHEMKIN software package were used. The …

Accelerating reactor development with accessible simulation and automated optimization tools

E Daymo, AL Tonkovich, M Hettel, J Guerrero - Chemical Engineering and …, 2019 - Elsevier
… ), DETCHEM ™ (surface reaction and thermodynamics toolkit), and OpenFOAM (multiphysics
simulation software) are … DETCHEM ™ [14] is a commercially available package of tools …

CaRMeN: a tool for analysing and deriving kinetics in the real world

H Gossler, L Maier, S Angeli, S Tischer… - Physical Chemistry …, 2018 - pubs.rsc.org
… The examples shown in this paper use the software package DETCHEM 28 to simulate
stagnation flow, plug flow and channel flow reactors. The packed-bed reactor model was …

1D and 2D porous media fixed bed reactor simulations with DUO

EA Daymo, AL Tonkovich, M Hettel, A Shirsath - Meccanica, 2024 - Springer
… CFD to 2D and 1D DETCHEM solvers to accelerate the simulation … DETCHEM includes a
1D Packed Bed Reactor (DETCHEM … license of DETCHEM by omegadot software & consulting …

Interconnected Digital Solutions to Accelerate Modeling of the Reaction Kinetics in Catalysis

R Chacko, H Gossler, S Angeli… - ChemCatChem, 2024 - Wiley Online Library
DETCHEM (DETailed CHEMistry),[39] a program package written in FORTRAN is specifically
DETCHEM also accommodates user-defined expressions for calculating reaction rates, in …

3D modeling of a CPOX-reformer including detailed chemistry and radiation effects with DUO

M Hettel, E Daymo, O Deutschmann - Computers & Chemical Engineering, 2018 - Elsevier
… DUO stands for the coupling of the open source CFD-code OpenFOAM and the commercially
available software package DETCHEM™. The focus of the work is on the analysis of the …

TChem: A performance portable parallel software toolkit for complex kinetic mechanisms

K Kim, OH Díaz-Ibarra, HN Najm, J Zádor… - Computer Physics …, 2023 - Elsevier
DETCHEM [15] is a software package designed for the solution of reacting flow problems.
To the best of our knowledge, none of these packages is currently portable to heterogeneous …