• Resources Recycling
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• v.28 no.1
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• pp.32-39
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• 2019

The present study investigated hydration of alkali activated slag incorporating sulfate as a form of anhydrite by employing thermodynamic modeling using the Gibbs free energy minimization approach. Various parameters were evaluated in the thermodynamic calculations, such as presence of sulfide, precipitation/dissolution of AFt/AFm phase, and the effect of oxic condition on the predicted reaction. The calculations suggested no significant difference in the void volume and chemical shrinkage, which might influence the performance of the mixtures, in spite of various changes of the parameters. Although the types of hydration products and their amount varied according to the input conditions, their variations were smaller range than that induced by water-to-binder ratio. Moreover, it did not affect the amount of C-(N-)A-S-H which was the most important hydration product.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.41 no.11
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• pp.874-882
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• 2013

Kerosene(Jet A-1), one of the propellants for each stage's engine of the Korea Space Launch Vehicle-II(KSLV-II), functions as coolant at the same time as it flows inside the cooling jacket of the combustion chambers and is injected through the film cooling holes. A physical surrogate mixture model to reproduce the thermophysical characteristics of Jet A-1 has been selected and the thermodynamic/transport properties of the model fuel under high pressure including supercritical conditions have been estimated using SUPERTRAPP(NIST SRD4). Comparisons with the measured properties suggest that proposed database can be used to extract properties of Jet A-1 for conjugate heat transfer analysis of liquid propellant rocket engine thrust chambers. Predicted combustion/cooling performance of regeneratively cooled thrust chambers shall be validated through comparisons with upcoming firing test results.

• Clean Technology
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• v.20 no.3
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• pp.290-297
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• 2014

Batch adsorption studies were carried out for equilibrium, kinetics and thermodynamic parameters for adsorption of coomassi brilliant blue G (CBBG) using activated carbon with varying the operating variables like initial concentration, contact time and temperature. Equilibrium adsorption data were fitted into Langmuir, Freundlich and Dubinin-Radushkevich isotherms. From estimated separation factor of Langmuir and Freundlich, this process could be employed as effective treatment for removal of CBBG. Also from Dubinin-Radushkevich isotherm model, adsorption energy (E) indicated adsorption process is physical adsorption. From kinetic experiments, the adsorption reaction was found to confirm to the pseudo second order model with good correlation. Intraparticle diffusion was rate controlling step. Thermodynamic parameters like change of free energy, enthalpy, and entropy were also calculated to predict the nature of adsorption. The change of enthalpy (406.12 kJ/mol) indicated endothermic nature of the adsorption process. The change of entropy (1.66 kJ/mol K) showed increasing disorder in process. The change of free energy found that the spontaneity of process increased with increasing adsorption temperature.

• Journal of the Korean Electrochemical Society
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• v.5 no.2
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• pp.79-85
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• 2002

The present article is concerned with the application of the Monte Carlo simulation to electrochemistry of lithium intercalation from the thermodynamic view point. This article first introduced the fundamental concepts of the ensembles, and Ising and lattice gas models in statistical thermodynamics for the Monte Carlo simulation in brief. Finally the Monte Carlo method based upon the lattice gas model was employed to analyse thermodynamics of the lithium intercalation into the transition metal oxides. Especially we dealt with the thermodynamic properties as the electrode potential curve and the partial molar internal energy and entropy of lithium ion in the case of the $LiMn_2O_4$ electrode, and consequently confirmed the utility of the Monte Carlo method in the field of electrochemistry of the lithium intercalation.

• Korean Chemical Engineering Research
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• v.59 no.4
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• pp.565-573
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• 2021

Isotherms, kinetics and thermodynamic properties for adsorption of Brilliant Green(BG), Quinoline Yellow(QY) dyes by activated carbon were carried out using variables such as dose of adsorbent, pH, initial concentration, contact time, temperature and competitive. BG showed the highest adsorption rate of 92.4% at pH 11, and QY was adsorbed at 90.9% at pH 3. BG was in good agreement with the Freundlich isothermal model, and QY was well matched with Langmuir model. The separation coefficients of isotherm model indicated that these dyes could be effectively treated by activated carbon. Estimated adsorption energy by Temkin isotherm model indicated that the adsorption of BG and QY by activated carbon is a physical adsorption. The kinetic experimental results showed that the pseudo second order model had a better fit than the pseudo first order model with a smaller in the equilibrium adsorption amount. It was confirmed that surface diffusion was a rate controlling step by the intraparticle diffusion model. The activation energy and enthalpy change of the adsorption process indicated that the adsorption process was a relatively easy endothermic reaction. The entropy change indicated that the disorder of the adsorption system increased as the adsorption of BG and QY dyes to activated carbon proceeded. Gibbs free energy was found that the adsorption reaction became more spontaneous with increasing temperature. As a result of competitive adsorption of the mixed solution, it was found that QY was disturbed by BG and the adsorption reduced.

• Journal of Korean Society of Environmental Engineers
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• v.34 no.4
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• pp.260-269
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• 2012

The aim of this study is to evaluate the applicability of adsorption models for understanding the thermodynamic properties of adsorption process. For this study, the adsorption isotherm data of $NO_3$-N ion onto a commercial anion exchange resin obtained at various experimental conditions, i.e. different initial concentrations of adsorbate, different dosages of adsorbent, and different temperatures, were used in calculating the thermodynamic parameters and the adsorption energy of adsorption process. The Gibbs free energy change (${\Delta}G^0$) of adsorption process could be calculated using the Langmuir constant $b_M$ as well as the Sips constant, even though the results were significantly dependant on the experimental conditions. The thermodynamic parameters such as standard enthalpy change (${\Delta}H^0$), standard entropy change (${\Delta}S^0$) and ${\Delta}G^0$ could be calculated by using the experimental data obtained at different temperatures, if the adsorption data well fitted to the Langmuir isotherm model and the plot of ln b versus 1/T gives a straight line. As an alternative, the empirical equilibrium constant(K) defined as $q_e/C_e$ could be used for evaluating the thermodynamic parameters instead of the Langmuir constant. The results from the applications of D-R model and Temkin model to evaluate the adsorption energy suggest that the D-R model is better than Temkin model for describing the experimental data, and the availability of Temkin model is highly limited by the experimental conditions. Although adsorption energies determined using D-R model show significantly different values depending on the experimental conditions, they were sufficient to show that the adsorption of $NO_3$-N onto anion exchange resin is an endothermic process and an ion-exchange process.

• Nuclear Engineering and Technology
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• v.54 no.11
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• pp.4134-4145
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• 2022

The collimator is one of the high-heat-flux components used to avoid a series of vacuum and thermal problems. In this paper, the heat load distribution throughout the collimator is first calculated through experimental data, and a transient thermodynamic simulation analysis of the original model is carried out. The error of the pipe outlet temperature between the simulated and experimental values is 1.632%, indicating that the simulation result is reliable. Second, the model is optimized to improve the heat transfer performance of the collimator, including the contact mode between the pipe and the flange, the pipe material and the addition of a twisted tape in the pipe. It is concluded that the convective heat transfer coefficient of the optimized model is increased by 15.381% and the maximum wall temperature is reduced by 16.415%; thus, the heat transfer capacity of the optimized model is effectively improved. Third, to adapt the long-pulse steady-state operation of the experimental advanced superconducting Tokamak (EAST) in the future, steady-state simulations of the original and optimized collimators are carried out. The results show that the maximum temperature of the optimized model is reduced by 37.864% compared with that of the original model. The optimized model was changed as little as possible to obtain a better heat exchange structure on the premise of ensuring the consumption of the same mass flow rate of water so that the collimator can adapt to operational environments with higher heat fluxes and long pulses in the future. These research methods also provide a reference for the future design of components under high-energy and long-pulse operational conditions.

• Proceedings of the Korean Society of Tribologists and Lubrication Engineers Conference
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• 2002.10b
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• pp.219-220
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• 2002

To establish a thermodynamic basis for degradation, a hypothesis was made on the potential correlation between entropy and degradation for wear of machinery components. This paper reports an experimental study of wear of model machinery component pairs, on an accelerated testing basis. Measured were wear, friction, temperatures, and entropy flow. Results show a strong correlation between the referenced wear and the production of entropy flow. The hypothesis linking wear to entropy led to formulations consistent with the Archard/Holm wear law.

• International Journal of Automotive Technology
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• v.5 no.4
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• pp.287-295
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• 2004

A performance simulator for the fuel cell hybrid electric vehicle (FCHEV) is developed to evaluate the potentials of hybridization for fuel cell electric vehicle. Dynamic models of FCHEV's electric powertrain components such as fuel cell stack, battery, traction motor, DC/DC converter, etc. are obtained by modular approach using MATLAB SIMULINK. In addition, a thermodynamic model of the fuel cell is introduced using bondgraph to investigate the temperature effect on the vehicle performance. It is found from the simulation results that the hybridization of fuel cell electric vehicle (FCEV) provides better hydrogen fuel economy especially in the city driving owing to the braking energy recuperation and relatively high efficiency operation of the fuel cell. It is also found from the thermodynamic simulation of the FCEV that the fuel economy and acceleration performance are affected by the temperature due to the relatively low efficiency and reduced output power of the fuel cell stack at low temperature.

• Proceedings of the Polymer Society of Korea Conference
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• 2006.10a
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• pp.207-208
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• 2006

Here, we discuss various thermodynamic factors that affect the design of nanomaterials based on block copolymers. It is well known that the ordering behavior is determined by composition, chain size N, and the ubiquitous Flory. However, the recent discovery of ordering upon heating, immisibility loops, and baroplasticity addresses a clear need for further microscopic interpretation of such. in order to help to design nanomaterials at aimed purposes. Employing a perturbed hard sphere chain model, the molecular factors such as self and cross-interactions, free space distribution, and directional interactions are incorporated in. It is shown that not only typical ordering phenomena, but also the recent observations just mentioned are all described through this unified way.