• Journal of the Korean Chemical Society
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• v.67 no.6
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• pp.407-414
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• 2023

The present study uses quasi-classical trajectory procedures to examine the vibrational relaxation and dissociation of the methyl and ring C-H bonds in excited methylpyrazine (MP) during collision with either N₂ or O₂. The energy-loss (-ΔE) of the excited MP is calculated as the total vibrational energy (E_T) of MP is increased in the range of 5,000 to 40,000cm^-1. The results indicate that the collision-induced vibrational relaxation of MP is not large, increasing gradually with increasing E_T between 5,000 and 30,000 cm^-1, but then decreasing with the further increase in E_T. In both N₂ and O₂ collisions, the vibrational relaxation of MP occurs mainly via the vibration-to-translation (V→T) and vibration-to-vibration (V→V) energy transfer pathways, while the vibration-to-rotation (V→R) energy transfer pathway is negligible. In both collision systems, the V→T transfer shows a similar pattern and amount of energy loss in the ET range of 5,000 to 40,000cm^-1, whereas the pattern and amount of energy transfer via the V→V pathway differs significantly between two collision systems. The collision-induced dissociation of the C-H_methyl or C-H_ring bond occurs when highly excited MP (65,000-72,000 cm^-1) interacts with the ground-state N₂ or O₂. Here, the dissociation probability is low (10^-4-10^-1), but increases exponentially with increasing vibrational excitation. This can be interpreted as the intermolecular interaction below E_T = 71,000 cm^-1. By contrast, the bond dissociation above E_T = 71,000 cm^-1 is due to the intramolecular energy flow between the excited C-H bonds. The probability of C-H_methyl dissociation is higher than that of C-H_ring dissociation.

• Transactions of the Korean hydrogen and new energy society
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• v.29 no.1
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• pp.105-110
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• 2018

The flow boiling heat transfer of water was experimentally investigated on plain and sintered microporous surfaces in a mini-channel. The effects of microporous coating on flow boiling heat transfer of subcooled water were investigated in a 300 mm long mini-channel with a cross section of $20{\times}10mm^2$. The test section has sufficiently long entrance length of 300 mm which provides a fully-developed flow before the channel inlet. The bottom side of the channel was heated by a copper block assembled with a high-density cartridge heater and other sides of the channel were insulated. The microporous surface was fabricated by sintering copper particles with the average particle size of $50{\mu}m$ on the top side of the copper block. Heat transfer measurement was conducted at the mass flux of $208kg/m^2s$ and the heat flux up to $500kW/m^2$. Microporous coated surface showed an earlier boiling incipience compared with plain surface regardless of the mass flux. Microporous coating were significantly attributed to local wall temperature and local heat transfer coefficient for flow boiling.

• Journal of Energy Engineering
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• v.20 no.3
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• pp.242-251
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• 2011

The effects of top and bottom lids on the natural convection heat transfer phenomena inside vertical cylinders were investigated experimentally for $Ra_{Lw}$ from $9.26{\times}10^9$ to $7.74{\times}10^{12}$. Using the concept of analogy between heat and mass transfer, a cupric acid-copper sulfate electroplating system was employed as mass transfer experiments replacing heat transfer experiments. The natural convection heat transfer of both-open cylinders in laminar and turbulent flows was in good agreement with the existing heat transfer correlations developed for vertical plates. The effects of top and bottom lids on the heat transfer rates were very similar to the studies of Krysa et al. and Sedahmed et al. and Chung et al. With the copper lids, the bottom-closed cavity showed the highest heat transfer rates and then followed both-closed, top-closed, both-open ones in both laminar and turbulent flows. However with the acryl lids, the similar trends were observed except that the heat transfer rates for both-open were higher than top-closed one. The use of the copper lids increased the heat transfer rates compared to the acryl lids due to the hydrodynamic interaction of the flows developed for the different heated faces. This study extended the ranges of flow conditions of the existing literatures and proposed the empirical correlations.

• Bulletin of the Korean Chemical Society
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• v.16 no.5
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• pp.410-416
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• 1995

The proton transfer energies of gas phase glycine and alanine and those of hydrated glycine and alanine were calculated both with Hartree-Fock and $M{\Phi}ller-Plesset$ ab initio molecular orbital (MO) calculations with 6-31G** basis set. The transition states of the proton transfer of gas phase glycine was also investigated. For zwitterions, both for glycine and alanine, the water bound to -NH3+ site stabilize the complex more compared with the water bound to -CO2-. The proton transfer energy, ΔEpt, of glycine, alanine, mono-hydrated glycine, mono-hydrated alanine, di-hydrated glycine and di-hydrated alanine were obtained as 30.78 (MP2: 22.57), 31.43, 23.99 (MP2: 17.00), 24.98, 22.87, and 25.63 kcal/mol, respectively. The activation energy for proton transfer from neutral (Nt) glycine to zwitterion (Zw) glycine, Ea, was obtained as 16.13 kcal/mol and that for reverse process, Ear, was obtained as 0.85 kcal/mol. Since the transition state of the proton transfer of gas phase glycine locate near the glycine zwitterion on the potential energy surface and the shape of the potential well of the zwitterion is shallow, the zwitterion easily changed to neutral glycine through the proton transfer.

• Proceedings of the SAREK Conference
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• 2008.06a
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• pp.1255-1260
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• 2008

This study is simulation of high elevated liquid line of a modular heat pump system to observe longitudinal subcooling variation. In a high elevated tube, subcooled refrigerant(R410A) through a condenser changes its states by heat transfer with surrounding air and by pressure drop from elevation. In this study, the liquid line was simulated through correlations of heat transfer and pressure drop for the variation from single-phase into two-phase flow. Pressure drop, heat transfer rate and vapor quality were calculated as key parameters. Two-phase turning heights and variations of the key parameters were confirmed from the simulation. As a result, high elevation of liquid line has great influence on upward flow, which requires additional equipment to compensate the variation.

• Journal of the Korean Solar Energy Society
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• v.22 no.1
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• pp.9-21
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• 2002

To develope chemical heat pump using available energy sources, solar heat and other kinds of waste thermal energy, we have studied the heat transfer rate in cylindrical bed reactor packed with calcined Dolomite. Two dimensional (radial and circumferential) Partial differential equations, concerning heat and mass transfer in packed bed of calcined Dolomite, are solved numerically to describe the characteristics of the reaction of calcined Dolomite and heat transfer. The results obtained by numerical analysis about two dimensional profiles of temperature and conversion of reactant in the packed bed reactor and the amount of exothermic heat released from the reactor are follows. It was found that all of calcined Dolomite packed bed kept the reaction temperature of about 750K throughout the entire part of the bed, immediately after the steam was introduced exothermic reaction of hydration was proceeded from the packed bed inpu to output and from wall side to center. The rate of thermochemical reaction depends on the temperature and concentration and it is also governed by the boundary conditions and heat transfer rate in the particle packed bed.

• Transactions of the Korean hydrogen and new energy society
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• v.15 no.3
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• pp.194-200
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• 2004

Thermal energy performance of a brazed plate heat exchanger has been evaluated experimentally. The effects of plate pitch as well as chevron angle of a plate heat exchanger on the heat transfer rate and pressure drop have been investigated in the wide range as mass flow rates in detail. This problem is of particular interest in the design of a plate heat exchanger. The results obtained indicate that both heat transfer rate and pressure drop are increased as mass flow rate is increased, as expected. It is also found that the heat transfer rate is increased with a decrease in the plate pitch while the heat transfer is decreased with a decrease in the chevron angle. Friction factor correlations are suggested based on the measured pressure drop and effectiveness of plate heat exchangers are also compared.

• Journal of the Korean Society for Geothermal and Hydrothermal Energy
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• v.14 no.2
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• pp.8-14
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• 2018

A boiling heat transfer is used in various industry such as power generation systems, heat exchangers, air-conditioning and refrigerations. In the boiling heat transfer system, the critical heat flux (CHF) is the important factor, and it indicated safety of the system. It has kept up studies on the CHF enhancement. Recently, it is reported the CHF enhancement, when working fluid used the nanofluid with excellent thermal properties. Therefore, in this study, we investigated the influence of nano particles coated surface for heat transfer enhancement in pure water, oxidized multi-wall carbon nanotube nanofluid (OMWCNT), and oxidized graphene nanofluid (OGraphene). Nanoparticles were coated for 120 sec on the surface, and we measured the CHF at the flow velocities of 0.5, 1.0, and 1.5 m/sec, respectively. As the results, both of the OMWCNT and OGraphene nanofluids increased up to about 34.0 and 40.0%.

• Mass Spectrometry Letters
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• v.12 no.4
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• pp.131-136
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• 2021

Collision-induced dissociation of peptides involves a series of proton-transfer reactions in the activated peptide. To describe the kinetics of energy-variable dissociation, we considered the heat capacity of the peptide and the Marcus-theory-type proton-transfer rate. The peptide ion was activated to the high internal energy states by collision with a target gas in the collision cell. The mobile proton in the activated peptide then migrated from the most stable site to the amide oxygen and subsequently to the amide nitrogen (N-protonated) of the peptide bond to be broken. The N-protonated intermediate proceeded to the product-like complex that dissociated to products. Previous studies have suggested that the proton-transfer equilibria in the activated peptide affect the dissociation kinetics. To take the extent of collisional activation into account, we assumed a soft-sphere collision model, where the relative collision energy was fully available to the internal excitation of a collision complex. In addition, we employed a Marcus-theory-type rate equation to account for the proton-transfer equilibria. Herein, we present results from the integrated thermochemical approach using a tryptic peptide of ubiquitin.

• 한국신재생에너지학회:학술대회논문집
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• 2008.05a
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• pp.190-193
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• 2008

The heat transfer characteristics of molten salt storage system for the solar thermal power generation were investigated. Temperature profiles and the heat transfer coefficients during the storage and discharge stage were obtained with the steam as the heat transfer fluid. Two kinds of inorganic salt were employed as the storage materials and coil type of heat exchanger were installed in both tanks to provide the heat transfer surfaces during the storage and discharge stage. The effects of steam flow rates, flow direction of steam in the storage tank and the initial temperature of storage and discharge tank on the heat transfer were tested.