Advancements in hydrogen energy research with the assistance of computational chemistry

AV Vorontsov, PG Smirniotis - International Journal of Hydrogen Energy, 2023 - Elsevier
Hydrogen and electricity are the leading energy sources for most applications in the near
future. With the rapid development of computers and computational chemistry methods, the …

Structural optimization of 3D printed SiC scaffold with gradient pore size distribution as catalyst support for methanol steam reforming

S Qian, H Liu, Y Wang, D Mei - Fuel, 2023 - Elsevier
Porous ceramic catalyst supports can be used for highly efficient methanol steam reforming
(MSR) due to their generally high catalyst loading capacity, large specific surface area, and …

Kinetics parameter optimization of hydrocarbon fuels via neural ordinary differential equations

X Su, W Ji, J An, Z Ren, S Deng, CK Law - Combustion and Flame, 2023 - Elsevier
Chemical kinetics mechanisms are essential for understanding, analyzing, and simulating
complex combustion phenomena. In this study, a neural ordinary differential equation …

Investigations on combustion system optimization of a heavy-duty natural gas engine

W Li, J Ma, H Liu, H Wang, H Zhang, T Qi, D Wu, J Pan - Fuel, 2023 - Elsevier
Nowadays, the carbon-free policies and the crisis of crude oil make natural gas get
increasing attention. However, spark-ignited natural gas engines continually suffer from …

A numerical control machining tool path step error prediction method based on BP neural network

ZY Zhang, W Liu, PF Li, JP Zhang, LY Fan - Scientific Reports, 2023 - nature.com
Step error calculation of numerical control (NC) machining tool path is a premise for
generating high-quality tool path and promoting its application. At present, iterative methods …

Machine learned compact kinetic models for methane combustion

M Kelly, M Fortune, G Bourque, S Dooley - Combustion and Flame, 2023 - Elsevier
Chemical kinetic models are an essential component in the development and optimisation of
combustion devices through their coupling to multi-dimensional simulations such as …

Fast uncertainty reduction of chemical kinetic models with complex spaces using hybrid response-surface networks

JH Oh, P Wiersema, K Kim, E Mayhew, J Temme… - Combustion and …, 2023 - Elsevier
Response-surface (RS) surrogate approaches permit efficient inverse uncertainty
quantification (UQ) of combustion kinetic models, wherein the uncertainty of reaction rates is …

Optimizing Chemical Reaction Mechanisms: Evaluating Parameter-Free Metaheuristic Algorithms and Gradient-Based Optimization

P Badhuk, N Verma, RV Ravikrishna - Combustion Science and …, 2024 - Taylor & Francis
In the present work, we compare the performance of four different metaheuristic algorithms
in reaction mechanism optimization problems. Mechanism optimization is an essential step …

Influence of Intake Port Structure on the Performance of a Spark-Ignited Natural Gas Engine

J Pan, J Ma, J Li, H Liu, J Wei, J Xu, T Zhu, H Zhang… - Energies, 2022 - mdpi.com
Spark-ignited natural gas engines have received increasing attention in the heavy-duty
market due to their low cost and reliability advantages. However, there are still some issues …

Contrasting bean analysis system based on YOLOv5 and a neural network model using the interval type-2 fuzzy set approach

JL Rodríguez-Álvarez, JL García-Alcaraz… - Neural Computing and …, 2024 - Springer
Beans are a legume that has historically been a cheap source of protein, in the daily human
diet. Therefore, it is challenging that the quality of this legume be guaranteed. In this work …