Pore-scale modeling of complex transport phenomena in porous media
Porous media play important roles in a wide range of scientific and engineering problems.
Recently, with their increasing application in energy conversion and storage devices, such …
Recently, with their increasing application in energy conversion and storage devices, such …
[HTML][HTML] Development of nickel based cermet anode materials in solid oxide fuel cells–Now and future
High temperature solid oxide fuel cell (SOFC) is the most efficient and clean energy
conversion technology to electrochemically convert the chemical energy of fuels such as …
conversion technology to electrochemically convert the chemical energy of fuels such as …
Contribution of DFT to the optimization of Ni-based catalysts for dry reforming of methane: a review
ABSTRACT In recent years, Density Functional Theory (DFT) simulations have been utilized
to gain insight into the Dry Reforming of Methane (DRM) process. It enables new and …
to gain insight into the Dry Reforming of Methane (DRM) process. It enables new and …
Modeling and simulation of sintering process across scales
Sintering, as a thermal process at elevated temperature below the melting point, is widely
used to bond contacting particles into engineering products such as ceramics, metals …
used to bond contacting particles into engineering products such as ceramics, metals …
Acetone adsorption to (BeO) 12,(MgO) 12 and (ZnO) 12 nanoparticles and their graphene composites: A density functional theory (DFT) study
Acetone, one of the most common VOCs, could cause serious air pollution and threat the
human health when someone is exposed to certain concentration of acetone. Thereof …
human health when someone is exposed to certain concentration of acetone. Thereof …
Numerical simulation and experimental measurement of pressureless sintering of stainless steel part printed by Binder Jetting Additive Manufacturing
Abstract Binder Jetting-Metal Additive Manufacturing (BJ-MAM) is a powder bed-based
additive manufacturing technology which deposits liquid binder droplets to join powder …
additive manufacturing technology which deposits liquid binder droplets to join powder …
Atomistic mechanisms study of the carbonation reaction of CaO for high-temperature CO2 capture
N Wang, Y Feng, X Guo - Applied Surface Science, 2020 - Elsevier
Ca-Looping is a promising technology for capturing CO 2. Here, ReaxFF molecular
dynamics simulations combined with thermogravimetric analysis (TGA) were employed to …
dynamics simulations combined with thermogravimetric analysis (TGA) were employed to …
Melting behavior of bimetallic and trimetallic nanoparticles: a review of MD simulation studies
H Akbarzadeh, E Mehrjouei, M Abbaspour… - Topics in Current …, 2021 - Springer
In recent years, bimetallic and trimetallic nanoparticles (NPs) have become attractive
materials for many researchers especially in the field of catalysis due to their interesting …
materials for many researchers especially in the field of catalysis due to their interesting …
Modeling of solid oxide fuel cell sintering stress and deformation
T Deng, L Xiao, K Sun, Z Sun, C Xie, J Zhu… - International Journal of …, 2024 - Elsevier
In this study, an atomistically informed constitutive term representing microscopic scaled
contraction is correlated and implemented to elucidate macroscopic sintering deformation …
contraction is correlated and implemented to elucidate macroscopic sintering deformation …
N2O Pulse Titration of Ni/α-Al2O3 Catalysts: A New Technique Applicable to Nickel Surface-Area Determination of Nickel-Based Catalysts
Transmission electron microscopy (TEM), CO pulse, and N2O pulse titration were applied to
measuring Ni particle sizes on Ni/α-Al2O3 catalysts. It was clarified for the first time that the …
measuring Ni particle sizes on Ni/α-Al2O3 catalysts. It was clarified for the first time that the …