Feasibility of Methane Oxidation on SSZ-13 Bridged Pd 2 O x Sites: A Theoretical Study
Not provided.
Chemistry↗
Engineering topics
Walker, Eric A.
Publications and source records attributed to Walker, Eric A..
How a quantum computer could accurately solve a hydrogen-air combustion model
A quantum circuit method for modeling steady state behavior of homogeneous hydrogen-air combustion is presented.
Becerra, Alejandro↗
Non-catalytic gas phase NO oxidation in the presence of decane
In this study, experiments without a catalyst revealed that NO was oxidized in a diesel exhaust gas phase mixture due to the presence of n -C 10 H 22 (decane). This reaction was observed to occur following the low temperature oxidation catalyst test protocol (LTC-D) defined by U.S. DRIVE. The purpose of LTC-D conditions is to simulate an aftertreatment diesel combustion gas mixture in order to test candidate catalyst materials. 100% NO conversion was observed, without a catalyst, after beginning to react at 330 °C accompanied by consumption of decane. After experiments that isolated hydrocarbons, ethylene was also observed to facilitate NO oxidation to a lesser degree (>470 °C). Density functional theory (DFT) calculations were conducted to investigate thermodynamically-possible initiating elementary steps during n -C 10 H 22 consumption and NO oxidation. Two feasible intermediate radicals to oxidize NO to NO 2 are ·C 10 H 21 O 2 and ·HO
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗