Activation of Methane by FeO+: Determining Reaction Pathways through Temperature-Dependent Kinetics and Statistical Modeling

2014 ◽  
Vol 118 (11) ◽  
pp. 2029-2039 ◽  
Author(s):  
Shaun G. Ard ◽  
Joshua J. Melko ◽  
Vladimir G. Ushakov ◽  
Ryan Johnson ◽  
Joseph A. Fournier ◽  
...  
Keyword(s):  
Statistical Modeling ◽  
Reaction Pathways ◽  
Temperature Dependent

scholarly journals Mechanistic details of the MnO+ + H2/D2 reaction through temperature-dependent kinetics and statistical modeling

2019 ◽  
Vol 435 ◽  
pp. 26-33 ◽  
Author(s):  
Brendan C. Sweeny ◽  
Hanqing Pan ◽  
Shaun G. Ard ◽  
Nicholas S. Shuman ◽  
Albert A. Viggiano ◽  
...  
Keyword(s):  
Statistical Modeling ◽  
Temperature Dependent

Accuracy Enhancement of Thermoelectric Simulation by Modeling the Electrical Contact

2016 ◽  
Vol 8 (4) ◽  
Author(s):  
Min Chen ◽  
Junling Gao ◽  
Zhengdong Kang ◽  
Jianzhong Zhang
Keyword(s):  
Statistical Modeling ◽  
System Simulation ◽  
Electrical Contact ◽  
Numerical Implementation ◽  
Temperature Dependent ◽  
Accuracy Improvement ◽  
Thermoelectric Modules ◽  
Accuracy Enhancement ◽  
Interface Resistance ◽  
Experimental Findings

The main objective of this study is to numerically analyze the uncertainty of the electrical interface resistance in thermoelectric modules (TEMs) and its contribution to the error of practical device and system simulation. To improve the simulation, the numerical implementation of the interface resistance in TEMs of any size, especially its temperature-dependent characteristics, is critical in the thermoelectric modeling. Using the electrothermal analogy and the PSpice simulator as the simulation baseline, the proposed nonlinear and statistical modeling of the interface resistance is examined and supported through extensive comparisons between experimental findings and numerical results. Considerable accuracy improvement is obtained for a single TEM and a system consisting of a number of interconnected TEMs.

Role of Spin in the Catalytic Oxidation of CO by N2O Enabled by Co+: New Insights from Temperature-Dependent Kinetics and Statistical Modeling

2020 ◽  
Vol 124 (39) ◽  
pp. 7966-7972
Author(s):  
David C. McDonald II ◽  
Brendan C. Sweeny ◽  
Albert A. Viggiano ◽  
Nicholas S. Shuman ◽  
Shaun G. Ard
Keyword(s):  
Catalytic Oxidation ◽  
Statistical Modeling ◽  
Oxidation Of Co ◽  
Temperature Dependent ◽  
Catalytic Oxidation Of Co

Catalytic Oxidation of CO by N2O Enabled by Al2O2/3+: Temperature Dependent Kinetics and Statistical Modeling

2020 ◽  
Vol 124 (9) ◽  
pp. 1705-1711
Author(s):  
Brendan C. Sweeny ◽  
David C. McDonald ◽  
Jennifer L. Poutsma ◽  
John C. Poutsma ◽  
Nicholas S. Shuman ◽  
...  
Keyword(s):  
Catalytic Oxidation ◽  
Statistical Modeling ◽  
Oxidation Of Co ◽  
Temperature Dependent ◽  
Catalytic Oxidation Of Co

Temperature-dependent reaction pathways of CO oxidation and the application as monolithic catalysts for Co3O4 nanorods

2019 ◽  
Vol 587 ◽  
pp. 117191 ◽  
Author(s):  
Jia Li ◽  
Yueyu Lei ◽  
Zengzeng Guo ◽  
Guanghua Li ◽  
Xiaoyu Chen ◽  
...  
Keyword(s):  
Co Oxidation ◽  
Reaction Pathways ◽  
Temperature Dependent ◽  
Monolithic Catalysts ◽  
Co3o4 Nanorods

Further Insight into the Reaction FeO+ + H2 → Fe+ + H2O: Temperature Dependent Kinetics, Isotope Effects, and Statistical Modeling

2014 ◽  
Vol 118 (34) ◽  
pp. 6789-6797 ◽  
Author(s):  
Shaun G. Ard ◽  
Joshua J. Melko ◽  
Oscar Martinez ◽  
Vladimir G. Ushakov ◽  
Anyang Li ◽  
...  
Keyword(s):  
Statistical Modeling ◽  
Isotope Effects ◽  
Temperature Dependent ◽  
Insight Into

scholarly journals Thermal activation of methane by MgO+: temperature dependent kinetics, reactive molecular dynamics simulations and statistical modeling

2020 ◽  
Vol 22 (16) ◽  
pp. 8913-8923
Author(s):  
Brendan C. Sweeny ◽  
Hanqing Pan ◽  
Asmaa Kassem ◽  
Jordan C. Sawyer ◽  
Shaun G. Ard ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Statistical Modeling ◽  
Thermal Activation ◽  
Methane Activation ◽  
Atomistic Simulations ◽  
Temperature Dependent ◽  
Reactive Molecular Dynamics ◽  
Dynamics Simulations

The kinetics methane activation (MgO+ + CH4) was studied experimentally and computationally by running and analyzing reactive atomistic simulations.

(111) Monocrystalline Nickel Films

1972 ◽  
Vol 30 ◽  
pp. 512-513
Author(s):  
T.E. Pratt ◽  
R.W. Vook
Keyword(s):  
Film Thickness ◽  
Deposition Rate ◽  
Room Temperature ◽  
Narrow Range ◽  
High Vacuum ◽  
Residual Pressure ◽  
Temperature Dependent ◽  
Deposition Parameters ◽  
Transmission Electron ◽  
Substrate Temperatures

(111) oriented thin monocrystalline Ni films have been prepared by vacuum evaporation and examined by transmission electron microscopy and electron diffraction. In high vacuum, at room temperature, a layer of NaCl was first evaporated onto a freshly air-cleaved muscovite substrate clamped to a copper block with attached heater and thermocouple. Then, at various substrate temperatures, with other parameters held within a narrow range, Ni was evaporated from a tungsten filament. It had been shown previously that similar procedures would yield monocrystalline films of CU, Ag, and Au.For the films examined with respect to temperature dependent effects, typical deposition parameters were: Ni film thickness, 500-800 A; Ni deposition rate, 10 A/sec.; residual pressure, 10-6 torr; NaCl film thickness, 250 A; and NaCl deposition rate, 10 A/sec. Some additional evaporations involved higher deposition rates and lower film thicknesses.Monocrystalline films were obtained with substrate temperatures above 500° C. Below 450° C, the films were polycrystalline with a strong (111) preferred orientation.

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