Chemical effect of H2 on NH3 combustion in an O2 environment via molecular dynamics simulations

Y Li, L Feng, W Chen - Energy, 2024 - Elsevier
Due to the imperative to reduce carbon emissions, NH 3-H 2 mixed combustion has
garnered significant attention. However, the knowledge of the reaction kinetics of NH 3-H 2 …

[PDF][PDF] Nanothermodynamics—General Theory

D Bedeaux, S Kjelstrup, SK Schnell - PoreLab: Trondheim …, 2020 - researchgate.net
The present text is planned as the theoretical part of a book in nanothermodynamics. The
book will have two parts; a theoretical part (the present document) and a part which …

[图书][B] Nanothermodynamics: Theory And Application

D Bedeaux, S Kjelstrup, SK Schnell - 2023 - books.google.com
This book grew out of an idea to study properties of small subsystems of a large reservoir.
Observations were at the time not explainable with standard thermodynamics. But the theory …

Investigation of hydrogen oxidation in supercritical H2O/CO2 mixtures using ReaxFF molecular dynamics simulation

G Li, Y Lu, S Qi - The Journal of Supercritical Fluids, 2020 - Elsevier
Hydrogen oxidation kinetics in supercritical H 2 O/CO 2 mixtures is a fundamental topic in
supercritical water oxidation (SCWO) technology. A series of reactive molecular dynamics …

Statistical mechanics of dimerizations and its consequences for small systems

R Zangi - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
Utilizing a statistical mechanics framework, we derive the expression of the equilibrium
constant for dimerization reactions. An important feature arising from the derivation is the …

Multimerizations, Aggregation, and Transfer Reactions of Small Numbers of Molecules

R Zangi - Journal of Chemical Information and Modeling, 2023 - ACS Publications
Chemical equilibria of multimerizations in systems with small numbers of particles exhibit a
behavior seemingly at odds with that observed macroscopically. In this paper, we apply the …

Partial molar enthalpies and reaction enthalpies from equilibrium molecular dynamics simulation

SK Schnell, R Skorpa, D Bedeaux… - The Journal of …, 2014 - pubs.aip.org
We present a new molecular simulation technique for determining partial molar enthalpies in
mixtures of gases and liquids from single simulations, without relying on particle insertions …

Binding reactions at finite systems

R Zangi - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
A perpetual yearn exists among computational scientists to scale down the size of physical
systems, a desire shared as well with experimentalists able to track single molecules. A …

Formation of spherical Sn particles by reducing SnO2 film in floating wire-assisted H2/Ar plasma at atmospheric pressure

TTN Nguyen, M Sasaki, T Tsutsumi, K Ishikawa… - Scientific Reports, 2020 - nature.com
A green method to synthesize spherical Sn particles by reducing SnO2 film in atmospheric-
pressure H2/Ar plasma at low temperatures for various applications is presented. The …

Low‐temperature reduction of SnO2 by floating wire‐assisted medium‐pressure H2/Ar plasma

TTN Nguyen, M Sasaki, SN Hsiao… - Plasma Processes …, 2022 - Wiley Online Library
Reduction of SnO2 to form spherical Sn particles and Sn etching are obtained by floating
wire (FW)‐assisted medium‐pressure H2/Ar plasma. High‐density H2/Ar plasma (1014 cm …