A review of kinetic modeling methodologies for complex processes

LP de Oliveira, D Hudebine… - Oil & Gas Science …, 2016 - ogst.ifpenergiesnouvelles.fr
In this paper, kinetic modeling techniques for complex chemical processes are reviewed.
After a brief historical overview of chemical kinetics, an overview is given of the theoretical …

Developing detailed chemical kinetic mechanisms for fuel combustion

HJ Curran - Proceedings of the Combustion Institute, 2019 - Elsevier
This paper discusses a brief history of chemical kinetic modeling, with some emphasis on
the development of chemical kinetic mechanisms describing fuel oxidation. At high …

Experimental and modeling study of the pyrolysis and combustion of dimethoxymethane

FH Vermeire, HH Carstensen, O Herbinet… - Combustion and …, 2018 - Elsevier
The pyrolysis and low-to intermediate temperature oxidation chemistry of dimethoxymethane
(DMM), the simplest oxymethylene ether, is studied theoretically and experimentally in a …

Effect of carbon dioxide on pyrolytic products characteristics and DOM binding heavy metals copper in sewage sludge biochar

Y Cai, X Jiao, A Aihemaiti, Y Su, Y Sun, J Chen, X Shen… - Energy, 2024 - Elsevier
In this study, a new method of calculation and comparison on pyrolysis products is
introduced in a sealed tube furnace under different pyrolysis conditions, to explore the …

A mini-review on the advances in the kinetic understanding of the combustion of linear and cyclic oxymethylene ethers

Y Fenard, G Vanhove - Energy & Fuels, 2021 - ACS Publications
Oxymethylene ethers are valuable candidate e-fuels and, therefore, represent an important
asset in the current energy transition. As such, the interest into predicting their combustion …

[PDF][PDF] Discerning complex reaction networks using automated generators

S Vernuccio, LJ Broadbelt - AIChE J, 2019 - academia.edu
Kinetic models are powerful tools, widely applied in many different fields of chemical
engineering and industrial chemistry. These models are typically expressed as large …

Feasibility of activation energy prediction of gas‐phase reactions by machine learning

S Choi, Y Kim, JW Kim, Z Kim… - Chemistry–A European …, 2018 - Wiley Online Library
Abstract Machine learning based on big data has emerged as a powerful solution in various
chemical problems. We investigated the feasibility of machine learning models for the …

Experimental and Modeling Investigation of the Effect of H2S Addition to Methane on the Ignition and Oxidation at High Pressures

S Gersen, M van Essen, H Darmeveil, H Hashemi… - Energy & …, 2017 - ACS Publications
The autoignition and oxidation behavior of CH4/H2S mixtures has been studied
experimentally in a rapid compression machine (RCM) and a high-pressure flow reactor …

Fast estimation of standard enthalpy of formation with chemical accuracy by artificial neural network correction of low-level-of-theory ab initio calculations

PP Plehiers, I Lengyel, DH West, GB Marin… - Chemical Engineering …, 2021 - Elsevier
A methodology for predicting the standard enthalpy of formation of gas-phase molecules
with high speed and accuracy has been developed. This includes the development of:(a) a …

Low to intermediate temperature oxidation studies of dimethoxymethane/n-heptane blends in a jet-stirred reactor

Z Gao, E Hu, Z Xu, G Yin, Z Huang - Combustion and Flame, 2019 - Elsevier
Kinetic research concerning fuel blends of ethers or dithers and larger alkanes at low
temperatures is extremely scarce. In this work, a study of the oxidation of dimethoxymethane …