• Journal of the Korean institute of surface engineering
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• v.19 no.2
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• pp.51-58
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• 1986

A theoretical model was proposed to predict the rate of particles impinging on the negatively biased substrate and the total kinetic energy per unit time. The model takes into an account of kinetic theory based on Maxwell statistics and elementary plasma theory, incorporated with Hertz-Knudsen's evaporation theory. It is found that as the bias potential increases the ion flux and kinetic energy increases to a value above which the effect of potential is insignificant.

• Journal of the Korean Chemical Society
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• v.65 no.6
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• pp.419-432
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• 2021

According to the transition state (TS) theory, Gaussian software and Yao and Lin (YL) method, the thermodynamics and kinetic data respectively were calculated, and anharmonic effect was considered for related reactions of NO₃. The methods of calculating and fitting kinetic and thermodynamics parameters were provided by least square method and related equations in this paper. Notably, the fitted E of Arrhenius equation was close to the calculated barrier of related reaction by QCISD(T) method. Therefore, the kinetic fitting result can well express the physical meaning of E in Arrhenius equation. Besides, the conversion process and the reaction mechanism of NO₃ were researched. For NO₃, it seemed that its instability results from its easy reaction with other substances rather than the decompose reaction of itself.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.41 no.5
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• pp.341-346
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• 2017

Knowing the mean free paths (MFPs) of thermal phonons is an essential step in performing heat transfer analysis for nanomaterials, and in determining the optimum design for tailoring the heat transfer characteristics of nanomaterials. In this study, we present a method that can be used to calculate accurately the phonon MFP spectra of nanostructures based on simple phonon kinetic theory. Here, the kinetic theory may be employed by extracting only the diffusive-transport part of the phonon spectrum (i.e., the MFPs are less than a thermal length). By considering phonon dispersion and polarization effects, the phonon MFP distributions of silicon at room temperature are calculated from phonon transport properties and the spectral MFP. Our results are validated by comparison with those of the first principle and MFP spectroscopy data.

• Bulletin of the Korean Chemical Society
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• v.10 no.2
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• pp.167-171
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• 1989

Kinetic energy release in the fragmentation of tert-butylbenzene molecular ion was investigated using mass-analyzed ion kinetic energy spectrometry. Method to estimate kinetic energy release distribution (KERD) from experimental peak shape has been explained. Experimental KERD was in good agreement with the calculated result using phase space theory. Effect of dynamical constraint was found to be important.

• Journal of the Korean Electrochemical Society
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• v.5 no.2
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• pp.86-92
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• 2002

The present article is concerned with the application of the kinetic Monte Carlo simulation to electrochemistry of lithium intercalation from the kinetic view point. Basic concepts of the kinetic Monte Carlo method and the transition state theory were first introduced, and then the simulation procedures were explained to evaluate diffusion process. Finally the kinetic Monte Carlo method based upon the transition state theory was employed under the cell-impedance-controlled constraint to analyse the current transient and the linear sweep voltammogram for the $LiMn_2O_4$ electrode, one of the intercalation compounds. From the results, it was found that the kinetic Monte Carlo method is much relevant to investigate kinetics of the lithium intercalation in the field of electrochemistry.

• Bulletin of the Korean Chemical Society
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• v.33 no.3
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• pp.779-789
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• 2012

In the kinetic theory of dense fluids the many-particle collision bracket integral is given in terms of a classical collision operator defined in the phase space. To find an algorithm to compute the collision bracket integrals, we revisit the eigenvalue problem of the Liouville operator and re-examine the method previously reported [Chem. Phys. 1977, 20, 93]. Then we apply the notion and concept of the eigenfunctions of the Liouville operator and knowledge acquired in the study of the eigenfunctions to cast collision bracket integrals into more convenient and suitable forms for numerical simulations. One of the alternative forms is given in the form of time correlation function. This form, on a further manipulation, assumes a form reminiscent of the Chapman- Enskog collision bracket integrals, but for dense gases and liquids as well as solids. In the dilute gas limit it would give rise precisely to the Chapman-Enskog collision bracket integrals for two-particle collision. The alternative forms obtained are more readily amenable to numerical simulation methods than the collision bracket integrals expressed in terms of a classical collision operator, which requires solution of classical Lippmann-Schwinger integral equations. This way, the aforementioned kinetic theory of dense fluids is made fully accessible by numerical computation/simulation methods, and the transport coefficients thereof are made computationally as accessible as those in the linear response theory.

• Nuclear Medicine and Molecular Imaging
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• v.42 no.2
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• pp.145-152
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• 2008

Nuclear medicine imaging has an unique advantage of absolute quantitation of radioactivity concentration in body. Tracer kinetic analysis has been known as an useful investigation methods in quantitative study of in-vivo physiological function. The use of nuclear medicine imaging and kinetic analysis together can provide more useful and powerful intuition in understanding biochemical and molecular phenomena in body. There have been many development and improvement in kinetic analysis methodologies, but the conventional basic concept of kinetic analysis is still essential and required for further advanced study using new radiopharmaceuticals and hybrid molecular imaging techniques. In this paper, the basic theory of kinetic analysis and imaging techniques for suppressing noise were summarized.

• Transportation Technology and Policy
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• v.5 no.4
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• pp.155-160
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• 2008

• Journal of the Korean Chemical Society
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• v.25 no.5
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• pp.291-299
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• 1981

A test particle kinetic theory for reaction dynamics in liquids is presented at the repeated ring collision level for the hard sphere model. A kinetic equation for the equilibrium time correlation function of the reactive test particle phase space density is derived and the rate kernel expression for the reversible chemical reaction of the type A +B ${\rightleftharpoons$ C + D in the presence of inert solvent S is obtained by the projection operator method.

• Proceedings of the Korea Society of Design Studies Conference
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• 2004.05a
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• pp.150-151
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• 2004