• Bulletin of the Korean Chemical Society
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• v.28 no.9
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• pp.1539-1544
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• 2007

1-Phenyl-3-p-fluorophenyl-5-p-chlorophenyl-2-pyrazoline has been synthesized and characterized by elemental analysis, IR, UV-Vis and X-ray single crystal diffraction. Density functional calculations show that B3LYP/6-311G** method can reproduce the structural parameters. The electronic absorption spectra have been predicted based on the optimized structure by using 6-311G** and 6-311++G** basis sets and compared with the experimental values. The results indicate that TD-DFT method can only predict the electronic absorption spectra of the system studied here approximately. On the basis of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between ,C0p,m,S0m,H0m and temperature.

• Journal of the Korean Society of Propulsion Engineers
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• v.22 no.4
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• pp.55-60
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• 2018

The thermal property is one of the most important characteristics in the field of energetic materials. Because energy materials release decomposition heat, differential scanning calorimetry (DSC) is frequently used for thermal analysis. However, thermodynamic events, such as melting can interfere with DSC kinetic analysis. In this study, we use isothermal mode for DSC measurement to avoid thermodynamic issues. We also merge accelerating rate calorimetry(ARC) data with DSC data to obtain a robust prediction results for small scale samples and for large scale samples as well. For the thermal property prediction, advanced kinetics and technology solutions(AKTS) programs are used.

• Journal of Korea Ship Safrty Technology Authority
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• s.33
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• pp.53-62
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• 2012

Pumps are used widely in feed water, cooling & heating system and process line of industrial and construction fields. They consume nearly 20% of the each nation's total electrical energy. But The management of pump energy wasn't controlled well. Their loss of energy is huge if they have been operated at low efficiency. The first buying cost of pump is small compare to the power consumption of pump, so we can recommend the suitable replace time and best operating condition of parts and pump to measure the pump efficiency. Pump efficiency is usually measured according to the two methods which they are called thermodynamic method and traditional technique. And we measured the pump efficiency using two methods using potable pump efficiency measurement device and compared the results with the real performance curve offered from pump maker.

• Journal of Korean Society of Water and Wastewater
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• v.32 no.5
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• pp.421-434
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• 2018

Water supply/intake pumps operation use 70~80% of power costs in water treatment plants. In the water treatment plant, seasonal and hourly differential electricity rates are applied, so proper pump scheduling can yield power cost savings. Accordingly, the purpose of this study was to develop an optimal water supply pump scheduling scheme. An optimal operation method of water supply pumps by using genetic algorithm was developed. Also, a method to minimize power cost for water supply pump operation based on pump performance derived from the thermodynamic pump efficiency measurement method was proposed. Water level constraints to provide sufficient disinfection performance in a clearwell and reservoirs were calibrated. In addition, continuous operation time constraints were calibrated to prevent frequent pump switching. As a result of optimization, savings ratios during 7 days in winter and summer were 4.5% and 5.1%, respectively. In this study, the method for optimal water pump operation was developed to secure disinfection performance in the clearwell and to save power cost. It is expected that it will be used as a more advanced optimal water pump operation method through further studies such as water demand forecasting and efficiency according to pump combination.

• 제어로봇시스템학회:학술대회논문집
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• 1989.10a
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• pp.844-847
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• 1989

This work describes an on-line method and procedure for calculating the fluid properties in real time while system is in operation. The method utilizes function blocks of distributed control systems. Thermodynamic relations of fluid from tables along with a fluid property formula are imbedded into the proposed signal processing block. Once the pressure and temperature measurements are entered the system provides other properties.

• Korean Chemical Engineering Research
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• v.54 no.6
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• pp.734-745
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• 2016

This review article described the electrochemical Frumkin, Langmuir, and Temkin adsorption isotherms of over-potentially deposited hydrogen (OPD H) and deuterium (OPD D) for the cathodic $H_2$ and $D_2$ evolution reactions (HER, DER) at Pt, Ir, Pt-Ir alloy, Pd, Au, and Re/normal ($H_2O$) and heavy water ($D_2O$) solution interfaces. The Frumkin, Langmuir, and Temkin adsorption isotherms of intermediates (OPD H, OPD D, etc.) for sequential reactions (HER, DER, etc.) at electrode/solution interfaces are determined using the phase-shift method and correlation constants, which have been suggested and developed by Chun et al. The basic procedure of the phase-shift method, the Frumkin, Langmuir, and Temkin adsorption isotherms of OPD H and OPD D and related electrode kinetic and thermodynamic parameters, i.e., the fractional surface coverage ($0{\leq}{\theta}{\leq}1$) vs. potential (E) behavior (${\theta}$ vs. E), equilibrium constant (K), interaction parameter (g), standard Gibbs energy (${\Delta}G_{\theta}{^{\circ}}$) of adsorption, and rate (r) of change of ${\Delta}G_{\theta}{^{\circ}}$ with ${\theta}$ ($0{\leq}{\theta}{\leq}1$), at the interfaces are briefly interpreted and summarized. The phase-shift method and correlation constants are useful and effective techniques to determine the Frumkin, Langmuir, and Temkin adsorption isotherms and related electrode kinetic and thermodynamic parameters (${\theta}$ vs. E, K, g, ${\Delta}G_{\theta}{^{\circ}}$, r) at electrode/solution interfaces.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.23 no.7
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• pp.911-917
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• 1999

The sonic nozzle is widely used as reference device for calibrating flowmeters In gas flow measurement and its use requires the Critical Flow Factor(CFF) based on the thermodynamic properties of the gas at the nozzle throat. ISO-9300 provides the calculating method of the factor. But since the CFF from this method show an error over ${\pm}0.5%$ In specific conditions and of ${\pm}0.1{\sim}{\pm}0.2%$ in common Natural Gas(NG) custody transfer condition. this method cannot be applied for gas flow measurement with sonic nozzle. Each research bodies or organizations of the world have joined in order to calculate the CFF more accurately. They have performed these works using their own method and compared the results with each other under the management of ISO. KOGAS have joined those works, because the high-pressure natural gas flow calibration facility of KOGAS will be constructed in late 1999, and then had necessities to calculate a CFF accurately. The calculation method of KOGAS was using the equation of state from AGA-8('94), high accuracy model of ideal gas properties and the solutions of thermodynamic equations. The evaluation results have had a very good consistency within ${\pm}0.05%$ in most NO custody transfer conditions compared to the speed of sound for methane and also shown that the CFF was within ${\pm}0.1%$ compared to the results of other works of the world.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.34 no.10
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• pp.56-60
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• 2006

It is essential to predict thermodynamic properties of combustion gas with respect to a propellant mixture ratio for the development of a gas generator for a liquid rocket engine. The present study shows the temperature measurement of exit combustion gas as a function of a mixture ratio through the series of combustion tests of a fuel-rich gas generator with liquid oxygen and Jet A-1. The measurements of dynamic and static pressures, and combustion gas temperatures allowed the estimation of thermodynamic properties like a specific heat ratio, a gas constant, and a constant pressure specific heat of the combustion gas. The comparison of the experimental results with predictions made by interpolation parameters obtained from the modification of the chemical equilibrium code indicates that the interpolation method calibrated using the temperature measurements can be utilized as an effective tool for the initial design of a fuel-rich gas generator.

• Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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• v.9 no.2
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• pp.677-680
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• 2005

In numerical analysis on the thermal performance of the heat exchanger with phase change fluids, the numerical values of thermodynamic properties are needed. But the steam table should be modeled properly as the direct use of thermodynamic properties of the steam table is impossible. In this study the function approximation characteristics of neural networks was used in modeling the saturated vapor region of refrigerant R12. The neural network consists of one input layer with one node, two hidden layers with 10 and 20 nodes each and one output layer with 7 nodes. Input can be both saturation temperature and saturation pressure and two cases were examined. The proposed model gives percentage error of ${\pm}$0.005% for enthalpy and entropy, ${\pm}$0.02% for specific volume and ${\pm}$0.02% for saturation pressure and saturation temperature except several points. From this results neural network could be a powerful method in function approximation of saturated vapor region of R12.

• Nuclear Engineering and Technology
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• v.53 no.2
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• pp.592-602
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• 2021

Thorium compounds have attracted immense scientific and technological attention with regard to both fundamental and practical implications, owing to unique chemical and physical properties like high melting point, high density and thermal conductivity. Hereby, we investigate the mechanical and thermodynamic stability and report on the structural, electronic and magnetic properties of new silicon-doped cubic ternary thorium phosphides ThSi_xP_1-x (x = 0, 0.25, 0.5, 0.75 and 1). The first-principles density functional theory procedure was adopted within full-potential linearized augmented plane wave (FP-LAPW) method. The exchange and correlation potential terms were treated within Generalized-Gradient-Approximation functional modified by Perdew-Burke-Ernzerrhof parameterizations. The proposed compounds showed mechanical and thermodynamic stable structure and hence can be synthesized experimentally. The calculated lattice parameters, bulk modulus, total energy, density of states, electronic band structure and spin magnetic moments of the compounds revealed considerable correlation to the Si substitution for P and the relative Si/P doping concentration. The electronic and magnetic properties of the doped compounds rendered them non-magnetic but metallic in nature. The main orbital contribution to the Fermi level arises from the hybridization of Th(6d+5f) and (Si+P)3p states. Reported results may have potential implications with regard to both fundamental point of view and technological prospects such as fuel materials for clean nuclear energy.