The application of wave-mechanics to reactions involving hydrogen and diplogen

1934 ◽  
Vol 30 (4) ◽  
pp. 508-513
Author(s):  
R. A. Smith
Keyword(s):  
Activation Energy ◽  
Quantum Theory ◽  
Chemical Reactions ◽  
Reaction Mechanisms ◽  
Reaction Rate ◽  
Theoretical Study ◽  
Electronic States ◽  
Activation Energies ◽  
Wave Mechanics

A considerable amount of work has recently been done on the application of wave-mechanics to the theoretical study of chemical reactions. This has consisted chiefly in calculating activation energies and strengths of various bonds by consideration of electronic states in molecules. Some work has also been done on actual reaction mechanisms. It is evident from the latter that, owing to the large masses of the particles concerned, the quantum theory and the classical treatment will give different results only for reactions involving hydrogen or diplogen. Previous attempts to deal with such reactions have consisted simply of calculating the permeabilityG(W) of a barrier of height equal to the activation energy for protons of energyW.The reaction rate is then assumed to be given by

Constructing Quantum Mechanics

2019 ◽  
Author(s):  
Anthony Duncan ◽  
Michel Janssen
Keyword(s):  
Quantum Mechanics ◽  
Quantum Theory ◽  
Stark Effect ◽  
Zeeman Effect ◽  
Black Body ◽  
Black Body Radiation ◽  
Wave Mechanics ◽  
Specific Heats ◽  
Old Quantum Theory ◽  
Upper Level

This is the first of two volumes on the genesis of quantum mechanics. It covers the key developments in the period 1900–1923 that provided the scaffold on which the arch of modern quantum mechanics was built in the period 1923–1927 (covered in the second volume). After tracing the early contributions by Planck, Einstein, and Bohr to the theories of black‐body radiation, specific heats, and spectroscopy, all showing the need for drastic changes to the physics of their day, the book tackles the efforts by Sommerfeld and others to provide a new theory, now known as the old quantum theory. After some striking initial successes (explaining the fine structure of hydrogen, X‐ray spectra, and the Stark effect), the old quantum theory ran into serious difficulties (failing to provide consistent models for helium and the Zeeman effect) and eventually gave way to matrix and wave mechanics. Constructing Quantum Mechanics is based on the best and latest scholarship in the field, to which the authors have made significant contributions themselves. It breaks new ground, especially in its treatment of the work of Sommerfeld and his associates, but also offers new perspectives on classic papers by Planck, Einstein, and Bohr. Throughout the book, the authors provide detailed reconstructions (at the level of an upper‐level undergraduate physics course) of the cental arguments and derivations of the physicists involved. All in all, Constructing Quantum Mechanics promises to take the place of older books as the standard source on the genesis of quantum mechanics.

scholarly journals High-Temperature Deformation of Naturally Aged 7010 Aluminum Alloy

Metals ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 581
Author(s):  
Abdulhakim A. Almajid
Keyword(s):  
Activation Energy ◽  
Aluminum Alloy ◽  
High Temperature ◽  
Threshold Stress ◽  
Activation Energies ◽  
Temperature Deformation ◽  
High Temperature Range ◽  
Temperature Range ◽  
True Activation Energy ◽  
Two Temperatures

This study is focused on the deformation mechanism and behavior of naturally aged 7010 aluminum alloy at elevated temperatures. The specimens were naturally aged for 60 days to reach a saturated hardness state. High-temperature tensile tests for the naturally aged sample were conducted at different temperatures of 573, 623, 673, and 723 K at various strain rates ranging from 5 × 10−5 to 10−2 s−1. The dependency of stress on the strain rate showed a stress exponent, n, of ~6.5 for the low two temperatures and ~4.5 for the high two temperatures. The apparent activation energies of 290 and 165 kJ/mol are observed at the low, and high-temperature range, respectively. These values of activation energies are greater than those of solute/solvent self-diffusion. The stress exponents, n, and activation energy observed are rather high and this indicates the presence of threshold stress. This behavior occurred as a result of the dislocation interaction with the second phase particles that are existed in the alloy at the testing temperatures. The threshold stress decreases in an exponential manner as temperature increases. The true activation energy was computed by incorporating the threshold stress in the power-law relation between the stress and the strain. The magnitude of the true activation energy, Qt dropped to 234 and 102 kJ/mol at the low and high-temperature range, respectively. These values are close to that of diffusion of Zinc in Aluminum and diffusion of Magnesium in Aluminum, respectively. The Zener–Hollomon parameter for the alloy was developed as a function of effective stress. The data in each region (low and high-temperature region) coalescence in a segment line in each region.

Theoretical Study on the Two Novel Planar-type All-nitrogen N44- Anions: Structures, Stability, Reaction Rate and their Stable Mechanisms via Protonation

2021 ◽  
pp. 138519
Author(s):  
Yifan Feng ◽  
Haiyan Zhu ◽  
Qiyan Zhang ◽  
Qinfu Zhao ◽  
He Zhao ◽  
...  
Keyword(s):  
Reaction Rate ◽  
Theoretical Study

scholarly journals Advances in Cryochemistry: Mechanisms, Reactions and Applications

Molecules ◽  
2021 ◽  
Vol 26 (3) ◽  
pp. 750
Author(s):  
Lu-Yan An ◽  
Zhen Dai ◽  
Bin Di ◽  
Li-Li Xu
Keyword(s):  
Low Temperature ◽  
Chemical Reactions ◽  
Common Sense ◽  
Reaction Rate ◽  
Concentration Effect ◽  
Biological Products ◽  
Freeze Concentration ◽  
New Strategy ◽  
The 1960S

It is counterintuitive that chemical reactions can be accelerated by freezing, but this amazing phenomenon was discovered as early as the 1960s. In frozen systems, the increase in reaction rate is caused by various mechanisms and the freeze concentration effect is the main reason for the observed acceleration. Some accelerated reactions have great application value in the chemistry synthesis and environmental fields; at the same time, certain reactions accelerated at low temperature during the storage of food, medicine, and biological products should cause concern. The study of reactions accelerated by freezing will overturn common sense and provide a new strategy for researchers in the chemistry field. In this review, we mainly introduce various mechanisms for accelerating reactions induced by freezing and summarize a variety of accelerated cryochemical reactions and their applications.

scholarly journals Effect of CaO on catalytic combustion of semi-coke

2021 ◽  
Vol 10 (1) ◽  
pp. 011-020
Author(s):  
Luyao Kou ◽  
Junjing Tang ◽  
Tu Hu ◽  
Baocheng Zhou ◽  
Li Yang
Keyword(s):  
Activation Energy ◽  
Apparent Activation Energy ◽  
Combustion Rate ◽  
Activation Energies ◽  
Combustion Reaction ◽  
Tg Analysis ◽  
Conversion Rates ◽  
Apparent Activation Energies ◽  
Ozawa Integral Method ◽  
Addition Amount

Abstract Generally, adding a certain amount of an additive to pulverized coal can promote its combustion performance. In this paper, the effect of CaO on the combustion characteristics and kinetic behavior of semi-coke was studied by thermogravimetric (TG) analysis. The results show that adding proper amount of CaO can reduce the ignition temperature of semi-coke and increase the combustion rate of semi-coke; with the increase in CaO content, the combustion rate of semi-coke increases first and then decreases, and the results of TG analysis showed that optimal addition amount of CaO is 2 wt%. The apparent activation energy of CaO with different addition amounts of CaO was calculated by Coats–Redfern integration method. The apparent activation energy of semi-coke in the combustion reaction increases first and then decreases with the increase in CaO addition. The apparent activation energies of different samples at different conversion rates were calculated by Flynn–Wall–Ozawa integral method. It was found that the apparent activation energies of semi-coke during combustion reaction decreased with the increase in conversion.

scholarly journals The Effect of α-Al(MnCr)Si Dispersoids on Activation Energy and Workability of Al-Mg-Si-Cu Alloys during Hot Deformation

2020 ◽  
Vol 2020 ◽  
pp. 1-12
Author(s):  
Xiaoguo Wang ◽  
Jian Qin ◽  
Hiromi Nagaumi ◽  
Ruirui Wu ◽  
Qiushu Li
Keyword(s):  
Activation Energy ◽  
Aluminum Alloys ◽  
Constitutive Equation ◽  
Hot Deformation ◽  
Flow Instability ◽  
Void Formation ◽  
Activation Energies ◽  
Compression Tests ◽  
Softening Mechanism ◽  
Dynamic Softening

The hot deformation behaviors of homogenized direct-chill (DC) casting 6061 aluminum alloys and Mn/Cr-containing aluminum alloys denoted as WQ1 were studied systematically by uniaxial compression tests at various deformation temperatures and strain rates. Hot deformation behavior of WQ1 alloy was remarkably changed compared to that of 6061 alloy with the presence of α-Al(MnCr)Si dispersoids. The hyperbolic-sine constitutive equation was employed to determine the materials constants and activation energies of both studied alloys. The evolution of the activation energies of two alloys was investigated on a revised Sellars’ constitutive equation. The processing maps and activation energy maps of both alloys were also constructed to reveal deformation stable domains and optimize deformation parameters, respectively. Under the influence of α dispersoids, WQ1 alloy presented a higher activation energy, around 40 kJ/mol greater than 6061 alloy’s at the same deformation conditions. Dynamic recrystallization (DRX) is main dynamic softening mechanism in safe processing domain of 6061 alloy, while dynamic recovery (DRV) was main dynamic softening mechanism in WQ1 alloy due to pinning effect of α-Al(MnCr)Si dispersoids. α dispersoids can not only resist DRX but also increase power required for deformation of WQ1 alloy. The microstructure analysis revealed that the flow instability was attributed to the void formation and intermetallic cracking during hot deformation of both alloys.

Theoretical study of the spectroscopy of low-lying electronic states of the CuF molecule

1989 ◽  
Vol 134 (1) ◽  
pp. 111-118 ◽  
Author(s):  
A. Ramírez-solís ◽  
J.P. Daudey
Keyword(s):  
Theoretical Study ◽  
Electronic States
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