• Journal of the Korean Society of Combustion
• /
• v.19 no.4
• /
• pp.49-55
• /
• 2014

Design criterion for the size of micro Pt-catalytic combustor is investigated in terms of heat release rate. One-dimensional plug flow model is applied to determine the surface reaction constants using the experimental data at stoichiometric butane-air mixture. With these reaction constants, the mass fraction of butane and heat release rate predicted by the plug flow model are in good agreement with the experimental data at the combustor exit. The relationship between the size of micro catalytic combustor and mixture flowrate is introduced in the form of product of two terms-the effect of fuel conversion efficiency, and the effect of chemical reaction rate and mass transfer rate.

• Journal of the Korean Chemical Society
• /
• v.52 no.3
• /
• pp.217-222
• /
• 2008

We investigate the kinetics of diffusion-influenced catalytic reactions occurring in small reaction volume. From a simple exact model study, we find that the reaction rate coefficient decreases with the size of reaction volume. The explicit expression for the average reaction rate constant is presented, which can be regarded as a generalization of well-known Collins-Kimball rate constant into the reactions occurring in a small reaction volume. It turns out that the traditional diffusion influenced reaction dynamics is followed by a single exponential relaxation phase with a rate constant dependent on the reaction volume for the catalytic reactions occurring in small reaction volumes.

• Bulletin of the Korean Chemical Society
• /
• v.27 no.2
• /
• pp.255-265
• /
• 2006

The oxidation of hydrazobenzene by molecular oxygen in the polar solvent methanol is catalysed by a Schiff's base complex Co(3MeOsalen) which is a synthetic oxygen carrier. The products are trans-azobenzene and water. The rate of the reaction has been studied spectrophotometrically and the rate law established. A mechanism involving a ternary complex of catalyst, hydrazobenzene and molecular oxygen has been proposed. The kinetic studies show that a ternary complex $CoL{\cdot}H_2AB{\cdot}O_2$ is involved in the rate determining step. The reactions are summarised in a catalytic cycle. The kinetic data suggest that a ternary complex involving Co(3MeOsalen), triphenyl-phosphine and molecular oxygen is catalytically acive species but at higher triphenylphosphine concentrations the catalyst becomes inactive. The destruction of the catalytic activity could be due to the catalyst becoming coordinated with triphenyl phosphine at both z axis sites of the complex e.g. Co (3MeOsalen)$(PPh_3)_2$.

• Advances in nano research
• /
• v.12 no.3
• /
• pp.291-300
• /
• 2022

The behavior of hydrogen species on the surface of the catalyst during the Lewis acid transformation to form Brønsted acid sites over the spherical silica-supported WO_x catalyst was investigated. To understand the structure-activity relationship of Lewis acid transformation and hydrogen bonding interactions, we explore the potential of using the in situ diffuse reflection infrared Fourier transform spectroscopy (DRIFTS) with adsorbed ammonia and hydrogen exposure. From the results of in situ DRIFTS measurements, Lewis acid sites on surface catalysts were transformed into new Brønsted acid sites upon hydrogen exposure. The adsorbed NH₃ on Lewis acid sites migrated to Brønsted acid sites forming NH⁴⁺. The results show that the dissociated H atoms present on the catalyst surface formed new Si-OH hydroxyl species - the new Brønsted acid site. Besides, the isolated Si-O-W species is the key towards H-bond and Si-OH formation. Additionally, the H atoms adsorbed surrounding the Si-O-W species of mono-oxo O=WO₄ and di-oxo (O=)₂WO₂ species, where the Si-O-W species are the main species presented on the Inc-SSP catalysts than that of the IWI-SSP catalysts.

• Clean Technology
• /
• v.15 no.1
• /
• pp.42-46
• /
• 2009

Solvent-free direct preparation of dichloropropanol (DCP) from glycerol (by-product of bio-diesel production) and hydrochloric acid gas was carried out over acetin catalyst in a gas-liquid batch reactor. For this purpose, acetin mixture and triacetin were used as a homogeneous acetin catalyst. Performance in the acetin-catalyzed reaction was compared to that in the non-catalytic reaction under the same reaction conditions ($110^{\circ}C$, 3 bar, 3 h). Conversion of glycerol in the acetin-catalyzed reactions was ca. 3% higher than that in the non-catalytic reaction, and selectivity for dichloropropanol in the acetin-catalyzed reactions was ca. 50% higher than that in the non-catalytic reaction. It was also revealed that the catalytic performance of triacetin was ca. 2% higher than that of acetic mixture.

• Bulletin of the Korean Chemical Society
• /
• v.35 no.7
• /
• pp.1951-1955
• /
• 2014

Catalytic pyrolysis of Geodae-Uksae 1, a kind of miscanthus found in Korea, was carried out over mesoporous MCM-48 catalysts. For rapid product analysis and catalyst evaluation, pyrolysis-gas chromatography/mass spectrometry was used. X-ray diffraction, nitrogen sorption, pyridine adsorbed Fourier transform infrared, and NH3 temperature programmed desorption were utilized to analyze the properties of the catalysts. Compared to non-catalytic reaction, catalytic upgrading over mesoporous Al-MCM-48 catalysts produced a higher-quality bio-oil with a high stability and low oxygen content. Al-MCM-48 exhibited higher deoxygenation ability than Si-MCM-48 due to its higher acidity.

• Journal of Microbiology and Biotechnology
• /
• v.17 no.7
• /
• pp.1098-1105
• /
• 2007

Quantum mechanical and molecular dynamics simulation analysis has been performed on the model system for CALB (Candida antarctica lipase B) with esters to study the reaction mechanism and conformational preference of catalytic hydrolysis and the esterification reaction. Using quantum mechanical analysis, the ping-pong bi-bi mechanism was applied and energies and 3-dimensional binding configurations of the whole reaction pathways were calculated. Further molecular dynamics simulation analysis was performed on the basis of the transition state obtained from quantum mechanical study to observe the effect of structures of the substrates. Calculation results using substrates of different chain length and chiral configurations were compared for conformational preference. The calculated results showed very small influence on chain length, whereas chiral conformation showed big differences. Calculated results from molecular modeling studies have been compared qualitatively with the experimental data using racemic mixtures of (${\pm}$)-cis-4-acetamido-cyclopent-2-ene-1-ethyl acetate as substrates.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2013.08a
• /
• pp.152-152
• /
• 2013

Mechanism of energy conversion from chemical to electrical during exothermic catalytic reactions at the metal surfaces has been a fascinating and crucial subject in heterogeneous catalysis. A metal-semiconductor Schottky nanodiode is novel device for direct detection of chemically induced hot electrons which have sufficient energy to surmount the Schottky barrier. We measured a continuous chemicurrent during the hydrogen oxidation under of 760 Torr of O2 and 6 Torr of H2 by using Pt/Si and Pt/TiO2 nanodiodes at reaction temperatures and compared the chemicurrent with the reaction turnover rate. The thermoelectric current was measured by carrying out an experiment under O2 condition for elimination of the background current. Gas chromatograph and source meter were used for measurement of the chemical turnover rate and the chemicurrent, respectively. The correlation between the chemicurrent and the chemical turnover rate under hydrogen oxidation implies how hot electrons generated on the metal surface affect hydrogen oxidation.

• Bulletin of the Korean Chemical Society
• /
• v.29 no.1
• /
• pp.57-60
• /
• 2008

Catalytic oligomerization of isobutene to produce triisobutenes has been performed over a cation-exchange resin (Amberlyst-35) by using commercial C4 feeds. The catalytic activity in the oligomerization was retained without deactivation up to 90 h of reaction in a simulated reaction feed without butadiene, but its activity was significantly affected by the presence of butadiene in commercial C4 feeds. The isobutene conversion with time-on-stream was significantly decreased in the presence of butadiene, indicating the catalyst deactivation by butadiene. However, the stable activity for trimerization was accomplished when the oligomerization was carried out after eliminating butadiene by hydrogenation of the feeds. This work demonstrates that butadiene plays a role as a catalyst poison on the solid acid catalyst, so that its removal in the reactant feed is essential for practical application of trimerization.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.1
• /
• pp.225-230
• /
• 2013

A new heteropolyanion-based ionic ($[Hmim]_5PMo_{10}V_2O_{40}$) was synthesized by the reaction of molybdovanadophosphoric acid ($H_5PMo_{10}O_{40}$) with N-methylimidazole. [$[Hmim]_5PMo_{10}V_2O_{40}$ showed a high catalytic activity in the oxidative desulfurization of sulfur-containing compounds in 1-methylimidazolium tetrafluoroborate ($[Hmim]BF_4$) ionic liquid using 30% aqueous $H_2O_2$ as the oxidant. The catalytic system was of high activity, simplified workup and flexible recyclability. The catalytic oxidation reactivity of sulfur-containing compounds decreased in the order dibenzothiophene (DBT) > 4,6-dimethyldibenzothiophene (4,6-DMDBT) > benzothiophene (BT). The influences of various parameters including reaction time (t) and temperature (T), catalyst dosage, and oxidant to sulfur molar ratio n(O)/n(S) on the desulfurization of model oil were investigated in details. 99.1% of DBT conversion in the model oil was achieved at atmospheric pressure under the optimal conditions: n(O)/n(S) = 4:1, $60^{\circ}C$, 100 min and molar ratio of catalyst to sulfur of 0.062. The ionic liquid can be recycled six times without significant decrease in activity.