• Journal of Powder Materials
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• v.18 no.6
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• pp.538-545
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• 2011

This study shows that catalytic activity of bimetallic RhPt nanoparticle arrays under CO oxidation can be tuned by varying the size and composition of nanoparticles. The tuning of size of RhPt nanoparticles was achieved by changing concentration of rhodium and platinum precursors in one-step polyol synthesis. Two-dimensional RhPt bimetallic nanoparticle arrays in different size and composition were prepared through Langmuir-Blodgett thin film technique. CO oxidation was carried out on these two-dimensional nanoparticle arrays, revealing higher activity on the smaller nanoparticles compared to the bigger nanoparticles. X-ray photoelectron spectroscopy (XPS) results indicate the preferential surface segregation of Rh compared to Pt on the smaller nanoparticles, which is consistent with the thermodynamic analysis. Because the catalytic activity is associated with differences in the rates of $O_2$ dissociative adsorption between Pt and Rh, this paper suppose that the surface segregation of Rh on the smaller bimetallic nanoparticles is responsible for the higher catalytic activity in CO oxidation. This result suggests a control mechanism of catalytic activity via synthetic approaches of colloid nanoparticles, with possible application in rational design of nanocatalysts.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2009.05a
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• pp.345-349
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• 2009

This test cell is developed to the institutes or laboratories research and study gas turbine engine for academic purpose with this test data to provide the fundamentals of operational mechanism and structural configuration, and further to verify thermodynamic calculation The test cell is installed to monitor and compare real-time data with reference engine model performance simulation data. using by NI DAQ(Data acquisition)device and LabVIEW program based on 30lbf-micro turbojet engine.

• Journal of Environmental Science International
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• v.20 no.2
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• pp.215-222
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• 2011

The adsorption behavior of nitrate nitrogen was investigated from aqueous solution using char prepared from oak chip. The removal rate of nitrate nitrogen was found to be dependent on temperature and it is increased as the temperature increase. Adsorption equilibrium data of nitrate nitrogen on oak char. reasonably fitted Langmuir and Freundlich isotherm models. The adsorption energy obtained from D-R model was 12.5 kJ/mole at $20^{\circ}C$ indicating an ion exchange process as primary adsorption mechanism. Thermodynamic parameters such as ${\Delta}G^o$, ${\Delta}H^o$, and ${\Delta}S^o$ were -23.76 kJ/mole, 26.1 kJ/mole and 89.7 J/K mole at $20^{\circ}C$, respectively, indicated that the nature of nitrate nitrogen adsorption is spontaneous and endothermic.

• Journal of Electrochemical Science and Technology
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• v.11 no.2
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• pp.117-131
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• 2020

The adsorption of N-[(E)-Pyridin-2-ylmethylidene] aniline, a Schiff base, on to mild steel surface in 1M HCl and 0.5 M H₂SO₄ solutions and the consequent corrosion protection were studied employing weight loss method, electrochemical impedance spectroscopy and potentiodynamic polarization measurements. DFT calculations were performed to investigate its interaction with the metal surface at the atomic level to understand its inhibition mechanism. The adsorption process is well described by the Langmuir isotherm. The thermodynamic parameters indicated that the adsorption is spontaneous and the interaction of the inhibitor at the mild steel surface is mainly through physisorption. The R_a values obtained in AFM studies for the uninhibited and inhibited sample in HCl media respectively are 0.756 and 0.559 ㎛, and that in H₂SO₄ media are 0.411 and 0.406 ㎛. The lesser roughness values of the inhibited sample shows the adsorption of the molecules onto the mild surface. The inhibition efficiencies were found to improve with concentration of the inhibitor and the maximum efficiency was observed at 400ppm in all the investigation methods adopted. The inhibitor was found to exhibit a higher efficiency in HCl media (95.7%) than in H₂SO₄ (92.8%). The theoretical and experimental results are found to be in good agreement.

• Proceedings of the Korean Institute of Surface Engineering Conference
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• 2017.05a
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• pp.126-126
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• 2017

Using first principles calculations we unveil fundamental mechanism of hydrolysis reactions of two hazardous chemicals $PCl_3$ and $POCl_3$ with molecular water clusters nearby. It is found that the water molecules play a key role as a catalyst significantly lowing the activation barriers by transferring its protons to the reaction intermediates. Interestingly, torsional angles of molecular complexes at transition states are identified as a vital descriptor on the reaction rate. Analysis of charge distribution over the complexes further reinforces the finding with atomic level correlation between the torsional angle and variation of the orbital hybridization state of P in the complex. Electronic charge separation (or polarization) enhances thermodynamic stability of the activated complex at transition state and reduces the activation energy through hydrogen bonding network with water molecules nearby. Calculated potential energy surfaces (PES) for the hydrolysis reactions of $PCl_3$ and $POCl_3$ depict their two contrastingly different profiles of double- and triple-deep wells, respectively. It is ascribed to the unique double-bonding O=P in the $POCl_3$. Our results on the activation free energy show well agreements with previous experimental data within $7kcalmol^{-1}$ deviation.

• Journal of the Korean Chemical Society
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• v.33 no.6
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• pp.582-587
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• 1989

Rates for aquation of $[Cr(NH_3)_5(DMF)]^{3+}$ ion in aqueous acidic solution have been measured by spectrophotometric method at various temperatures and pressures. The volume of activation for the aquation is small negative and lies in the limited range -2.76 ∼ -3.65 $cm^3mol^{-1}$. The entropy and compressibility coefficient of activation are small negative values. From the results of thermodynamic activation parameters, it can be inferred that the aquation of $[Cr(NH_3)_5(DMF)]^{3+}$ ion proceeds through an associative interchange($I_a$) mechanism.

• Economic and Environmental Geology
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• v.25 no.3
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• pp.225-232
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• 1992

The hydrothermal alteration is evaluated using multicomponent equilibrium calculations with the program CHILLER for the reactions between hydrothermal water and rhyolite at the temperature of $300^{\circ}C$ and pressure of 500 bars. The chemical-reaction model on the depositional processes of the sericitite confirms that the hydrothermal water-rock interaction(hydrothermal alteration) is the main mechanism of the sericitite formation. The principal change in the aqueous phase during the reaction is the pH increase. Overall trends for the major species are the increase in total molalities of K, Ca, $SiO_2$, Al, Mg, Fe, Na, and sulfide in solid phase with hydrothermal water-rhyolite reaction and the decrease of them in aqeous solution by precipitation of hydrothermal products. Quartz and sericite are the first minerals to form. The sequence of minerals to precipitate following them is chlorite, epidote, pyrite and microcline as water/rock ratio decreases. Although calculated results cannot duplicate the complexities of natural hydrothermal alteration, the calculation provides thermodynamic constraints on the natural process. The calculation results resemble those of experimental studies. Sericitite forms where pH decreases and water/rock ratio increases.

• Korean Journal of Air-Conditioning and Refrigeration Engineering
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• v.14 no.11
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• pp.914-922
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• 2002

Thermo-acoustic waves can be thermally generated in a compressible flow field by rapid heating and cooling, and chemical reaction near the boundary walls. This mechanism is very important in the space environment in which natural convection does not exist. Also this may be a significant factor for heat transfer when the fluids are close to the thermodynamic critical point. In this study, the generation and transmission characteristics of thermo-acoustic waves in an air-filled confined domain with two-step pulsed heating are studied numerically. The governing equations are discretized using control volume method, and are solved using PISO algorithm and second-order upwind scheme. For the purpose of stable solution, time step was set to the order of $1\times10_-9s,\;and\;grids\;are\;50\times2000$. Results show that temperature and pressure distributions of fluid near the boundary wall subjected to a rapid heating are increased abruptly, and the induced thermo-acoustic wave propagates through the fluid until it decays due to viscous and heat dissipation. Pressure waves have sharp front shape and decay with a long tail in the case of step heating, but these waves have sharp pin shape in the case of pulsed heating.

• Bulletin of the Korean Chemical Society
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• v.30 no.5
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• pp.1031-1034
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• 2009

Fluorescence of quinolones including norfloxacin, ciprofloxacin and S- and R-ofloxacin is quenched upon association with single and double-stranded DNA (ss- and ds-DNA). The ratios of fluorescence intensity in the presence of DNA to its absent were plotted with respect to the DNA concentration to construct the Stern-Volmer plot. The slope of the Stern-Volmer plot become larger as the temperature is lowered, ensuring that the fluorescence quenching is static process, i.e., the fluorescence is quenched by formation of the non-fluorescent complex between quinolone and DNA. In the static quenching mechanism, the quenching constant which is equivalent to the slope of the Stern-Volmer plot, is considered as the equilibrium constant for the association of quinolones and DNA. From the temperature-dependent equilibrium constant, ${\Delta}H^0\;and\;{\Delta}S^0$ was obtained using the van’t Hoff relation. In general, association of the quinolone with ds- as well as ss-DNA is energetically favorable (an exothermic) process while the entropy change was unfavorable. Due to the steric effect of the substituents, the effect of the quinolone ring is smaller on the ss-DNA compared to ds-DNA.

• Journal of the Korean Chemical Society
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• v.54 no.5
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• pp.533-540
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• 2010

An activated carbon was tested for its ability to remove transition metal ions from aqueous solutions. Physical, chemical and liquid-phase adsorption characterizations of the carbon were done following standard procedures. Studies on the removal of Ni(II), Cu(II) and Fe(III) ions were attempted by varying adsorbate dose, pH of the metal ion solution and time in batch mode. The equilibrium adsorption data were fitted with Freundlich and Langmuir and the isotherm constants were evaluated, equilibrium time of the different three metal ions were determined. pH was found to have a significant role to play in the adsorption. The processes were endothermic and the thermodynamic parameters were evaluated. Desorption studies indicate that ion-exchange mechanism is operating.