Direct oxidation of propylene to propylene oxide with molecular oxygen: a review

SJ Khatib, ST Oyama - Catalysis Reviews, 2015 - Taylor & Francis
The direct oxidation of propylene to propylene oxide (PO) using molecular oxygen has many
advantages over existing chlorohydrin and hydroperoxide process, which produce side …

DFT Study of Direct Propylene Epoxidation over the Disordered Surface Oxide of Cu12O6/Cu(111)

B Sun, GC Wang - The Journal of Physical Chemistry C, 2024 - ACS Publications
Propylene epoxidation reaction is a significant catalytic process utilized in a diverse range of
other industrial processes and has been employed for the synthesis of numerous high-value …

Thermal and shock dynamics interactions in vapor-liquid two-phase detonation

C Ye, Q Du, K Sun, Q Zhang - Fuel, 2024 - Elsevier
A numerical model for vapor–liquid two-phase detonation is developed using computational
fluid dynamics and combustion theory to address challenges in estimating transient dynamic …

[HTML][HTML] Flame behavior, shock wave, and instantaneous thermal field generated by unconfined vapor-liquid propylene oxide/air cloud detonation

C Ye, Q Du, L Liu, Q Zhang - Defence Technology, 2023 - Elsevier
Energy output and heating effects are essential for vapor-liquid fuel/air cloud detonation in
the fuel-air explosive (FAE) applications or explosion accidents. The purpose of this study is …

Propylene Oxide Addition Effect on the Chemical Speciation of a Fuel-Rich Premixed n-Heptane/Toluene Flame

AM Dmitriev, KN Osipova, DA Knyazkov… - ACS …, 2022 - ACS Publications
1, 2-Propylene oxide (PO, C3H6O) is considered as a promising agent for improving fuel. In
this work, the effect of PO additives on the species pool in a premixed burner-stabilized fuel …

Investigation of the oxygen coverage effect on the direct epoxidation of propylene over copper through DFT calculations

B Sun, GC Wang - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
The direct epoxidation of propylene is one of the most important selective oxidation
reactions in industry. The development of high-performance copper-based catalysts is the …

A density functional theory study of propylene epoxidation mechanism on Ag 2 O (001) surface

I Tezsevin, RA Van Santen, I Onal - Physical Chemistry Chemical …, 2018 - pubs.rsc.org
Propylene oxide (PO) is one of the 50 most produced chemicals according to the production
volume. Environmental and economic drawbacks of conventional PO production processes …

Investigation of the oxygen coverage of propylene epoxidation on Ag (1 1 1) surfaces from DFT

RR Ren, CQ Lv, JH Liu, GC Wang - Computational and Theoretical …, 2022 - Elsevier
The direct epoxidation of propylene on Ag (1 1 1) under different oxygen coverage
conditions was systemically studied on the basis of density functional theory calculation and …

Insights into Cl effect for propylene epoxidation over Ag2O (111) surface: A periodic density functional theory study

K Zhang, Y Guo, K Zhang, Z Xie, L Mei, X Wang… - Molecular …, 2024 - Elsevier
Abstracts As an environmentally friendly way, propylene epoxidation forming propylene
oxide (PO) catalyzed by Ag-based catalyst had received considerable attentions, which was …

Direct epoxidation of propylene to propylene oxide on various catalytic systems: A combinatorial micro-reactor study

Ş Kalyoncu, D Düzenli, I Onal, A Seubsai… - Catalysis …, 2015 - Elsevier
A combinatorial approach is used to investigate several bimetallic catalytic systems and the
promoter effect on these catalysts to develop highly active and selective catalysts for direct …