Anharmonic Effects in Unimolecular Rate Theory. Vibrations and Collisions of Simple Polyatomic Systems

1964 ◽  
Vol 40 (8) ◽  
pp. 2137-2145 ◽  
Author(s):  
Robert J. Harter ◽  
Elliott B. Alterman ◽  
David J. Wilson
Keyword(s):  
Rate Theory ◽  
Anharmonic Effects ◽  
Polyatomic Systems

On the interpretation of dislocation-loop growth during in-situ high-voltage Electron Microscopy

1990 ◽  
Vol 48 (4) ◽  
pp. 532-533
Author(s):  
E. Holzäpfel ◽  
F. Phillipp ◽  
M. Wilkens
Keyword(s):  
Point Defect ◽  
Rate Equations ◽  
Rate Theory ◽  
Dislocation Loops ◽  
High Voltage Electron Microscopy ◽  
Vacancy Migration ◽  
Voltage Electron ◽  
Reaction Rate Theory ◽  
Defect Reactions

During in-situ radiation damage experiments aiming on the investigation of vacancy-migration properties interstitial-type dislocation loops are used as probes monitoring the development of the point defect concentrations. The temperature dependence of the loop-growth rate v is analyzed in terms of reaction-rate theory yielding information on the vacancy migration enthalpy. The relation between v and the point-defect production rate P provides a critical test of such a treatment since it is sensitive to the defect reactions which are dominant. If mutual recombination of vacancies and interstitials is the dominant reaction, vαP0.5 holds. If, however, annihilation of the defects at unsaturable sinks determines the concentrations, a linear relationship vαP is expected.Detailed studies in pure bcc-metals yielded vαPx with 0.7≾×≾1.0 showing that besides recombination of vacancies and interstitials annihilation at sinks plays an important role in the concentration development which has properly to be incorporated into the rate equations.

Thermal Decomposition Kinetics of Glyphosate (GP) and its Metabolite Aminomethylphosphonic Acid (AMPA)

2019 ◽  
Author(s):  
Milad Narimani ◽  
Gabriel da Silva
Keyword(s):  
Thermal Decomposition ◽  
Reaction Rate ◽  
Decomposition Kinetics ◽  
Rate Theory ◽  
Thermal Decomposition Mechanism ◽  
Treatment Processes ◽  
Aminomethylphosphonic Acid ◽  
Reaction Rate Theory ◽  
Decomposition Chemistry ◽  
Kinetics Of

Glyphosate (GP) is a widely used herbicide worldwide, yet accumulation of GP and its main byproduct, aminomethylphosphonic acid (AMPA), in soil and water has raised concerns about its potential effects to human health. Thermal treatment processes are one option for decontaminating material containing GP and AMPA, yet the thermal decomposition chemistry of these compounds remains poorly understood. Here, we have revealed the thermal decomposition mechanism of GP and AMPA by applying computational chemistry and reaction rate theory methods. <br>

Study of the Evolution of Defects in the Structure of Reactor Pressure Vessel by Rate Theory

2014 ◽  
Vol 10 (1) ◽  
pp. 123-127 ◽  
Author(s):  
Gyeong-Geun Lee ◽  
Yong-Bok Lee ◽  
Min-Chul Kim ◽  
Junhyun Kwon
Keyword(s):  
Pressure Vessel ◽  
Reactor Pressure Vessel ◽  
Rate Theory ◽  
Reactor Pressure

Charge exchange of muons in gases: Experimental implications from rate theory

1984 ◽  
Vol 18 (1-4) ◽  
pp. 697-701 ◽  
Author(s):  
Ralph Eric Turner ◽  
Masayoshi Senba
Keyword(s):  
Charge Exchange ◽  
Rate Theory

Temperature-dependent anharmonic effects on shear deformability of Bi2Te3 semiconductor

2021 ◽  
Vol 202 ◽  
pp. 114016
Author(s):  
Ben Huang ◽  
Guodong Li ◽  
Bo Duan ◽  
Pengcheng Zhai ◽  
William A. Goddard
Keyword(s):  
Temperature Dependent ◽  
Anharmonic Effects

Anharmonic effects on theoretical IR line shapes of medium strong H(D) bonds

2009 ◽  
Vol 109 (3) ◽  
pp. 483-499 ◽  
Author(s):  
Noureddine Issaoui ◽  
Najeh Rekik ◽  
Brahim Oujia ◽  
Marek J. Wójcik
Keyword(s):  
Line Shapes ◽  
Anharmonic Effects
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