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The importance of the pre-exponential factor in semiclassical molecular dynamics [PDF]
Journal of Chemical Physics, 2016 This paper deals with the critical issue of approximating the pre-exponential factor in semiclassical molecular dynamics. The pre-exponential factor is important because it accounts for the quantum contribution to the semiclassical propagator of the classical Feynman path fluctuations. Pre-exponential factor approximations are necessary when chaotic or
Giovanni Di Liberto +2 more
exaly +7 more sources
Crystals, 2020 A linear regression model is presented in this study to determine the pre-exponential factor and interfacial energy of the crystallized substance based on classical nucleation theory using the metastable zone width data.
Lie-Ding Shiau
doaj +4 more sources
Studying the impact of the pre-exponential factor on templated nucleation [PDF]
Faraday Discussions, 2022 This study suggests that the heterogeneous surface enhances the nucleation rate via hydrogen bond formation with both glycine and diglycine.
Vivek Verma +4 more
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Determination of pre-exponential factor and reaction mechanism in a model-free way
Thermochimica Acta, 2020 Abstract Four methods to compute the pre-exponential factor and the mathematical function that describe the reaction mechanism in a model-free way are proposed and their accuracies were estimated using a complex (multi-step) reaction mechanism that has been simulated.
Nicolas Sbirrazzuoli
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Conductivity pre-exponential factors for some new superionic conductors
Bulletin of Materials Science, 1987 The pre-exponential factors obtained from the ionic conductivity studies on Na2(La, Al)ZrP3O12, Na2(La, Al)TiP3O12, NH4Zr2V3O12 and AlPO4:Li+ have been analysed. The compensation law has been found to be valid for these materials indicating that the entropy is directly related to the activation energy.
K Byrappa +2 more
exaly +3 more sources
Molecules, 2022 A linearized integral model based on classical nucleation theory is applied in this work to determine the interfacial energy and pre-exponential factor using a linear plot from the cumulative distributions of the metastable zone width (MSZW) data for ...
Lie-Ding Shiau
doaj +1 more source
Весці Нацыянальнай акадэміі навук Беларусі: Серыя фізіка-тэхнічных навук, 2021 The paper discusses results of an experimental study of the thermal decomposition of pyrolysis tar in a homogeneous process and in the presence of a catalyst.
S. V. Vasilevich +3 more
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Influence of dolomite particle size on the kinetics of its thermal decomposition process
Весці Нацыянальнай акадэміі навук Беларусі: Серыя фізіка-тэхнічных навук, 2022 The results of an experimental study of the thermal decomposition of natural dolomite, carried out on laboratory equipment at constant temperatures of 650 °C, 700, 750, 800 and 850 °C, are discussed. Particles of Belarusian dolomite weighing 0.58 g, 0.88,
S. V. Vasilevich +3 more
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A Simple Direct Method to Obtain Kinetic Parameters for Polymer Thermal Decomposition
Applied Sciences, 2021 In a fire, the polymer combustion occurs when gaseous fuels react with oxygen. The heating of a material could force the release of gaseous fuels during thermal decomposition and pyrolysis.
David Lázaro +3 more
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Research on exothermic and kinetic characteristics of low-temperature oxidation of preoxidized coal
Gong-kuang zidonghua, 2022 The existing research on the spontaneous combustion characteristics of oxidized coal is mostly based on the coal samples prepared under the conditions of lower oxidation temperature and air. It lacks the analysis of the kinetic characteristics during the
YAN Guofeng, HUANG Xingli, YAN Zhenguo
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