• Bulletin of the Korean Chemical Society
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• v.7 no.6
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• pp.428-433
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• 1986

It is demonstrated by using a highly positive uranium ion as a test case that the exact relation between the small and the large components of a Dirac spinor in relativistic self-consistent-field (RSCF) calculations is not fully satisfied by the kinetic balance condition only even for two electron systems. For a fixed number of large component basis functions, total energies are sensitive to the change of the size of the small component basis sets even after the kinetic balance condition is fully satisfied. However, the kinetic balance condition appears to be a reasonable guideline in generating reliable and practical basis sets for most applications of RSCF calculations. With a complete small component basis set, energies from RSCF calculations exhibit a variational behavior, implying the stability of the present RSCF procedure.

• Bulletin of the Korean Chemical Society
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• v.15 no.3
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• pp.241-245
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• 1994

A method has been developed to estimate the kinetic energy release originating from the reverse critical energy in unimolecular ion dissociation. Contribution from the excess energy was estimated by RRKM theory, the statistical adiabatic model and the modified phase space calculation. This was subtracted from the experimental kinetic energy release distribution (KERD) via deconvolution. The present method has been applied to the KERDs in $H_2$, loss from $C_6H_6^+$ and HF loss from ${CH_2CF_2}^+$. In the present formalism, not only the energy in the reaction coordinate but also the energy in some transitional vibrational degrees of freedom at the transition state is thought to contribute to the experimental kinetic energy release. Details of the methods for treating the transitional modes are found not to be critical to the final outcome. For a reaction with small excess energy and large reverse critical energy. KERD is shown to be mainly governed by the reverse critical energy.

• Bulletin of the Korean Chemical Society
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• v.22 no.3
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• pp.288-292
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• 2001

The kinetic mechanism of Hafnia alvei aspartase in the amination direction has been determined in the absence of metal. The initial velocity pattern obtained by varying the concentration of fumarate at several fixed concentrations of NH4+ , shows an intersection on the left of the ordinate at pH 7.0, indicating that the kinetic mechanism is a sequential mechanism in which substrate inhibition by fumarate is observed. The dead-end inhibition pattern by varying the concentration of NH4+ at several fixed concentration of succinate shows an intersection on the left of the ordinate. These data are consistent with random addition of NH4+, or fumarate. The Haldane relationship gives a Keq of 1.18 ${\times}$10-3 M at pH 7.0, which is in agreement with the values obtained from the direct determination of reaction concentrations at equilibrium (6.0 $\pm0.2$ ${\times}$10-3 M).

• Bulletin of the Korean Chemical Society
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• v.18 no.2
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• pp.171-174
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• 1997

The initial kinetic energy of laser-ablated Zn cation has been investigated via time-of-flight mass spectrometry. The flight times of the ions have been measured with a high voltage pulse on the extract electrode in the mass spectrometer, which has been delayed from the laser pulse. The time-of-flight equation including the initial kinetic energy term of the ion has been derived for the mass spectrometer. The optimum value of the initial kinetic energy has been extracted by fitting the measured flight times into the time-of-flight equation. The initial kinetic energy of the ions generated by Nd:YAG laser (532 nm) at the power density of 5 × 107 W/cm2 has been determined to be 22-44 kJ/mol.

• Nuclear Engineering and Technology
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• v.54 no.3
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• pp.811-816
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• 2022

This work presents the methodology used to expand the capabilities of the Monte Carlo code OpenMC for the calculation of reactor kinetic parameters: effective delayed neutron fraction β_eff and neutron generation time L. The modified code, OpenMC(Time-Dependent) or OpenMC(TD), was then used to calculate the effective delayed neutron fraction by using the prompt method, while the neutron generation time was estimated using the pulsed method, fitting Λ to the decay of the neutron population. OpenMC(TD) is intended to serve as an alternative for the estimation of kinetic parameters when licensed codes are not available. The results obtained are compared to experimental data and MCNP calculated values for 18 benchmark configurations.

• Asian-Australasian Journal of Animal Sciences
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• v.2 no.3
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• pp.208-209
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• 1989

• 한국전산유체공학회:학술대회논문집
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• 2006.05a
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• pp.385-385
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• 2006

• Proceedings of the Korea Society of Design Studies Conference
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• 2003.05a
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• pp.44-45
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• 2003

• Clean Technology
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• v.19 no.1
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• pp.51-58
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• 2013

In this study, kinetics data was obtained for steam reforming reaction of ethane over the nickel catalyst. The variables of steam reforming reaction were reaction temperature, partial pressure of ethane, and mole ratio of steam and ethane. Parameters for the power rate law kinetic model and the Langmuir-Hinshelwood model were obtained from the kinetic data. Also, sizing of steam reforming reactor was performed by using PRO/II simulator. For the steam reforming reaction of ethane, Langmuir-Hinshelwood model determining the reaction rate by the surface reaction was better suited than a simple power rate law kinetic model. On water-gas-shift reaction, power rate law kinetic model was well fitted to the kinetic data. Reactor size can be calculated for production of hydrogen through PRO/II simulation.

• KSCE Journal of Civil and Environmental Engineering Research
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• v.40 no.1
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• pp.111-118
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• 2020

The rainfall kinetic energy equation derived in the USA has been used in South Korea to quantitatively estimate the amount of soil erosion caused by rainfall for the past 40 years. It is critical to analyze the characteristics of rainfall kinetic energy that causes soil erosion from measured storm events in the study area because the characteristics depend on climate, region, and time. The purpose of this study is to analyze the characteristics in Seoul, South Korea, and the data of the Parsivel rain gauge measured in Seoul for 3 years was used for the current study. This study focuses on deriving the relationship between rainfall kinetic energy and rainfall intensity among the data measured by the Parsivel. The new rainfall kinetic energy equation in Seoul is proposed and compared with the previous equations used in South Korea.