• Korean Chemical Engineering Research
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• v.49 no.3
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• pp.361-366
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• 2011

By using Monte Carlo simulation method we developed a new molecular simulation software which can be used to predict the thermodynamic properties of organic compounds. Starting from molecular structure and intermolecular potential function, rigorous statistical mechanical principles give a probability distribution for the behavior of a system containing many molecules, which enables us to calculate macroscopic thermodynamic properties of the system. The software developed in this work, cheMC, is based on Windows platform providing with easy access. One can efficiently administrate simulations by using an intuitive interface equipped with visualization tool and chart generation. It is expected that molecular simulations supplement the equation of state approach and will play a more important role in the study of thermodynamic properties.

• Structural Engineering and Mechanics
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• v.76 no.1
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• pp.115-127
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• 2020

This study presents an analytical approach to investigate the thermodynamic behavior of functionally graded beam resting on elastic foundations. The formulation is based on a refined deformation theory taking into consideration the stretching effect and the type of elastic foundation. The displacement field used in the present refined theory contains undetermined integral forms and involves only three unknowns to derive. The mechanical characteristics of the beam are assumed to be varied across the thickness according to a simple exponential law distribution. The beam is supposed simply supported and therefore the Navier solution is used to derive analytical solution. Verification examples demonstrate that the developed theory is very accurate in describing the response of FG beams subjected to thermodynamic loading. Numerical results are carried out to show the effects of the thermodynamic loading on the response of FG beams resting on elastic foundation.

• Transactions of the Korean Society of Automotive Engineers
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• v.9 no.6
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• pp.94-102
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• 2001

The thermodynamic second law analysis, which means available energy or exergy analysis, for the indicated performance of Otto cycle engine has been carried out. Each operating process of the engine is simplified and modeled into the thermodynamic cycle. The calculation of the lost work and exergy through each process has been done with the thermodynamic relations and experimental data. The experimental data were measured from the test of single cylinder Otto cycle engine which operated at 2500 rpm, WOT(Wide Open Throttle) and MBT(Minimum advanced spark timing for Best Torque) condition with different fuels: gasoline, methanol and mixture of butane-methanol called M90. Experimental data such as cylinder pressure, air and fuel flow rate, exhaust gas temperature, inlet gas temperature and etc. were used for the analysis. The proposed model and procedure of the analysis are verified through the comparison of the work done in the study with experimental results. The calculated results show that the greatest lost work is generated during combustion process. And the lost work during expansion, exhaust, compression and induction process follows in order.

• Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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• v.18 no.3
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• pp.415-420
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• 2020

Strontium is known as a salt-soluble element during the electrolytic oxide reduction (EOR) process. The chemical behavior of SrO during EOR was investigated via thermodynamic calculations to provide quantitative data on the chemical status of Sr. To achieve this, thermodynamic calculations were conducted using HSC chemistry software for various EOR conditions. It was revealed that SrO reacts with LiCl salt to produce SrCl₂, even in the presence of Li₂O, and that the ratio of SrCl₂ depends on the initial concentration of Li₂O dissolved in LiCl. It was found that SrO reacts with Li to produce Sr during EOR and that the reduced Sr reacts with LiCl salt to produce SrCl₂. As a result, the proportions of metallic forms were lower in Sr than in La and Nd under various EOR conditions. The thermodynamic calculations indicated that the three chemical forms of SrO, SrCl₂, and Sr co-exist in the EOR system under an equilibrium with Li, Li₂O, and LiCl.

• 유체기계공업학회:학술대회논문집
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• 2004.12a
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• pp.546-551
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• 2004

An applying Thermodynamic method for the purpose of measuring hydraulic efficiency of pump-motor system, based on IEC60041 code, is not easy to adopt at field test. Even though there were splendid development in measuring technic in discharge measuring through the hydraulic machina lots of unsolved problems concerned in flow-rate are still remain in measuring hydraulic efficiency in hydraulic machine. The key point in measuring hydraulic efficiency is to measure exact flow-rate. So, Thermodynamic methode provides a good solution. This methode measures hydraulic efficiency by detecting the difference of temperature and pressure between the hydraulic process of machine, without measuring flow-rate of pump or turbine. By measuring temperature in mk level and absolute pressure in pascal, we can get a difference of thermodynamic specific energy in Moliere chart before and after of hydraulic process, md that difference is equal to hydraulic loses. Following the standard in proceeding Thermodynamic methode, I hope these trial and records make others be familiar to the thermal methode and make it easer to beginner for trial.

• Korean Journal of Materials Research
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• v.20 no.1
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• pp.42-46
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• 2010

Phosphorus exhibits considerable segregation in steelmaking slag. In order to recover phosphorus from slag to $K_3PO_4$ via molten iron, a carbothermic reaction using microwave heating was suggested recently. The carbothermic reduction of phosphorus from slag to molten iron using microwave heating was carried out at 2073K. However, at this temperature the thermodynamic properties of both slag and molten iron cannot be determined experimentally. Therefore, the computational approach of the so-called CALPHAD method is very useful to understand the transfer of phosphorus from slag to metal and to enhance this reaction. In the present investigation, a theoretical study of the reduction behavior of phosphorus in slag was carried out at much lower temperatures using the recently developed thermodynamic database in the FactSage program. The calculated results showed reasonable accordance with the experimental data; namely, the thermodynamic database could be applied successfully to higher temperature reactions. The current study found that higher temperature and high $SiO_2$ concentration are favorable for the recovery of phosphorus from slag.

• Korean Journal of Metals and Materials
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• v.47 no.3
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• pp.188-194
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• 2009

Recently, new extraction technology for manganese nodule has been developed as alternative noble metallic resources. It is important to understand thermodynamic behaviors of phosphorus in low basic slag system from the viewpoint of the refining processing optimization. Thermodynamic behaviors of phosphorus in the $FeO-MnO-CaO-SiO_2-MgO_{satd.}$ slag system were investigated at 1723 K with various oxygen potential and slag composition of low basicity. The experimental results for dependence of phosphorus on oxygen potential and slag basicity indicated that the dissolution mechanism of phosphorus into slag of low basicity could be derived as follows; $[P]+5/4O_2+(O^{2-})=({PO_{3.5}}^{2-})$ Present experimental results implied that stability of phosphorus in slag would be depended on both of $O^{2-}$ (basicity) and content of $Ca^{2+}$ in molten slag. The thermodynamic effect of FeO, MnO and $Na_2O$ on low basicity on phosphate capacity was discussed.

• Journal of the Korean Chemical Society
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• v.10 no.2
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• pp.103-108
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• 1966

The effect of temperature on the critical micelle concentration of dodecylpyridinium chloride has been determined by electrical conductance method over the range from $5^{\circ}C\;to\;50^{\circ}C$. The values of the change in heat content, ${\Delta}H_m$, and the other thermodynamic parameters have been estimated using the equation of temperature dependence on the critical micelle concentration for the same temperature range. The significance of these thermodynamic quantities and their relations to the various current theories of micelle forming processes were discussed.

• Selected Papers of The Society of Naval Architects of Korea
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• v.2 no.1
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• pp.106-128
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• 1994

An elasto-plastic-damage constitutive model for ductile materials is proposed within the framework of a thermodynamic approach of continuum damage mechanics (CDM) in which internal irreversible thermodynamic changes of micro-structure of materials such as plastic deformation and damage evolution are considered as thermodynamic state variables. The new constitutive model can predict not only the elasto-plastic behaviors but also the sequential stiffness degradation process of ductile materials more rationally.

• The Korean Journal of Ceramics
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• v.5 no.3
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• pp.205-210
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• 1999

The thermodynamic properties and phase diagram of the$ PbO-ZrO_2$ system have been critically assessed using the Thermo-Calc program. Excess Gibbs energies were expressed by Redlich-Kister polynomials for the solid phases, by the two-sublattice ionic liquid model for the liquid phase and by the compound energy model for the solid solution phase. All solid phases were treated as stoichimetric compounds.