• Proceedings of the Materials Research Society of Korea Conference
• /
• 2010.05a
• /
• pp.46.1-46.1
• /
• 2010

일반적으로 석출물의 석출은 핵생성(Nucleation)-성장(Growth)-조대화(Coarsening)의 단계를 거친다. 핵생성에 의해 생성된 개개의 핵들은 아직 열역학적으로 평형 상태가 아니다. 석출물의 부피 분율은 아직 상태도에서 예측할 수 있는 값까지 도달하지 못했다. 과포화된 기지에서 생성된 핵은 계속적으로 기지로부터 용질 원자를 공급받아 성장하게 된다. 석출물의 성장은 그 부피 분율이 상태도에서 예상되는 값에 도달할 때까지 계속된다. 시간에 따른 석출 분율 계산과 분산된 석출물들이 matrix내에서 어느 정도 용해도를 갖는다면, 보다 작은 크기의 입자들은 용해되어 보다 큰 입자로 석출(성장)하려는 경향이 있다. 이러한 현상의 구동력은 전체 시스템의 계면 에너지 감소에 의해 주어지며, 결국 하나의 큰 입자만이 존재하게 될 것이다. 본 연구에서는 석출분율을 계산하기 위해 상용프로그램인 Pandat을 통해 Mg-Al 2원계합금의 상태도 및 석출분율 계산을 위한 열역학 데이터를 계산하였다. 계산된 열역학 데이터는 C언어로 함수화 하여 입력하고 Excell을 통해 석출분율을 계산하였다. 계산된 석출분율과 실험값의 비교를 통해 fitting parameters를 대입하여 계산값 및 실험값의 오차율을 줄였다. 본 연구에서 계산된 석출분율은 미래의 석출상 크기 및 분포 등을 개발하는 기초데이터로 활용할 수 있을 것이다.

• Journal of the Korean Chemical Society
• /
• v.51 no.2
• /
• pp.129-135
• /
• 2007

The critical micelle concentrations (CMC) and the counter ion binding constants (B) in a micellar state of the mixed surfactant systems of Tetradecyltrimethylammonium bromide (TTAB) with Polyoxyethylene(23) lauryl ether (Brij 35) in water were determined as a function of α1 (the overall mole fraction of TTAB) by the use of electric conductivity method and surface tensiometer method from 15 oC to 35 oC. Values of thermodynamic parameters (ΔGom, ΔHom, and ΔSom) for the micellization of TTAB/Brij 35 mixtures were calculated and analyzed from the temperature dependence of CMC values. The results say that the measured values of ΔGom are all negative at the whole measured condition but the values of ΔSom and ΔHom are positive or negative, depending on the measured temperature and α1.

• Journal of the Korean Chemical Society
• /
• v.45 no.1
• /
• pp.7-13
• /
• 2001

The interaction of benzenesulfonate anion and its derivatives ($C_6H_5SO_3^-, p-$CH_3C_6H_4SO_3^-, and $p-C_2H_5C_6H_4SO_3^-$) with the micellar system of cationic surfactant TTAB(tetradecyltrimethylammonium bromide) was studied by UV/Vis spectrophotometric method. The solubilization constants($K_s$) of benzenesulfonate anions into the micellar phase of this surfactant have been measured with the change of temperature. The effects of additives(n-pentanol and NaBr) on the solubilization of benzenesulfonate anions by this surfactant system have been also measured. There was a great decrease on the values of $K_s$ and CMC simultaneously with these additives so that the measured values of ln$K_s$ were linear relationships with the values of lnCMC. For the thermodynamic study, various thermodynamic parameters(${\Delta}G^0_s$, ${\Delta}H^0_s$ and ${\Delta}S^0_s$) have been calculated and analyzed from the dependence of Ks values on temperature.

• Journal of the Korean Chemical Society
• /
• v.48 no.3
• /
• pp.236-242
• /
• 2004

The critical micelle concentration (CMC) and the counterion binding constant (B) in a mixed micellar state of the Dodecylpyridinium chloride (DPC) with the Cetyldimethylethylammonium bromide (CDEAB) at 25$^{\circ}C$ in aqueous solutions of n-butanol were determined as a function of ${\alpha}_1$ (the overall mole fraction of DPC) by the use of electric conductivity method. Various thermodynamic parameters (($X_i,\;{\gamma}_i,\;C_i,\;a^M_i,\;{\beta},\;and {\Delta}H_{mix})$were calculated by means of the equations derived from the nonideal mixed micellar model. The effect of n-butanol on the mixed micellization of the DPC/CDEAB mixtures has been also studied by analyzing the measured and calculated thermodynamic parameters (CMC, B 및 $;{\Delta}G_o\;^m$).

• Journal of the Korea Institute of Information and Communication Engineering
• /
• v.10 no.3
• /
• pp.459-466
• /
• 2006

Numerical values of thermodynamic properties such as temperature, pressure, dryness, volume, enthalpy and entropy are required in numerical analysis on evaluating the thermal performance. But the steam table itself cannot be used without modelling. From this point of view the neural network with function approximation characteristics can be an alternative. the multi-layer neural networks were made for saturated vapor region and superheated vapor region separately. For saturated vapor region the neural network consists of one input layer with 1 node, two hidden layers with 10 and 20 nodes each and one output layer with 7 nodes. For superheated vapor region it consists of one input layer with 2 nodes, two hidden layers with 15 and 25 nodes each and one output layer with 3 nodes. The proposed model gives very successful results with ${\pm}0.005%$ of percentage error for temperature, enthalpy and entropy and ${\pm}0.025%$ for pressure and specific volume. From these successful results, it is confirmed that the neural networks could be powerful method in function approximation of the steam table.

• Journal of the Korean Chemical Society
• /
• v.61 no.6
• /
• pp.328-338
• /
• 2017

The density functional theory(DFT) and ab initio calculations have been applied to investigate hydrogen interaction of $H_2O_3(H_2O)_n$ clusters(n=1-5). The structures, IR spectra, and H-bonding energies are calculated at various levels of theory. The $trans-H_2O_3$ monomer is predicted to be thermodynamically more stable than cis form at the CCSD(T)/cc-pVTZ level of theory. For clusters, the geometries are optimized at the MP2/cc-pVTZ level of theory. The binding energy of $H_2O_3-H_2O$ cluster is predicted to be -6.39 kcal/mol at the CCSD(T)//MP2/cc-pVTZ level of theory after zero-point vibrational energy (ZPVE) and basis set superposition error (BSSE) correction. This result implies that $H_2O_3$ is a stronger proton donor(acid) than either $H_2O$ or $H_2O_2$. The average binding energies per $H_2O$ are predicted to be 8.25 kcal/mol for n=2, 7.22 kcal/mol for n=3, 8.50 kcal/mol for n=4, and 8.16 kcal/mol for n=5.

• Journal of the Microelectronics and Packaging Society
• /
• v.10 no.3
• /
• pp.37-42
• /
• 2003

In soldering of electronic packaging, the research on substituting lead-free solder materials for Pb-Sn alloys has become active due to environmental and health concerns over the use of lead. The reliability of the solder joint is very important in the development of solder materials and it is known that it is related to wettability of the solder over the substrate and microstructural evolution during soldering. It is also highly affected by type and extent of the interfacial reaction between solder and substrate and therefore, it is necessary to understand the interfacial reaction between solder and substrate completely. In order to predict the intermetallic compound (IMC) phase which forms first at the substrate/solder interface during the soldering process, a thermodynamic methodology has been suggested. The activation energy for the nucleation of each IMC phases is represented by a function of the interfacial energy and the driving force for phase formation. From this, it is predicted that the IMC phase with the smallest activation energy forms first. The grain morphology of the IMC at the solder joint is also explained by the calculations which use the energy. The Jackson parameter of the IMC grain with a rough surface is smaller than 2 but it is larger than 2 in the case of faceted grains.

• Journal of the Korea Academia-Industrial cooperation Society
• /
• v.19 no.12
• /
• pp.592-599
• /
• 2018

The kinetics and thermodynamics of the adsorption of acid blue 40 from an aqueous solution by activated carbon were examined as a function of the activated carbon dose, pH, temperature, contact time, and initial concentration. The adsorption efficiency in a bathtub was increased at pH 3 and pH 11 due to the presence of sufonate ions ($SO_3{^-}$) and amine ions ($NH_2{^+}$). The equilibrium adsorption data were fitted to the Langmuir, Freundlich and Temkin isotherms. The results indicated that the Langmuir model provides the best correlation of the experimental data. The separation factor of the Langmuir and Freundlich model showed that the adsorption treatment of acid blue 40 by activated carbon could be an effective adsorption process. The adsorption energy determined by the Temkin equation showed that the adsorption step is a physical adsorption process. Kinetics analysis of the adsorption process of acid blue 40 on activated carbon showed that a pseudo second order kinetic model is more consistent than a pseudo second order kinetic model. The estimated activation energy was 42.308 kJ/mol. The enthalpy change (80.088 J/mol) indicated an endothermic process. The free energy change (-0.0553 ~ -5.5855 kJ/mol) showed that the spontaneity of the process increased with increasing adsorption temperature.

• Transactions of the Korean Society of Mechanical Engineers
• /
• v.14 no.1
• /
• pp.172-178
• /
• 1990

To predict the qualitative performance characteristics of Stirling Engines, an analytical approach to the Ideal Adiabatic Model set up by Urieli et al. has been treated. First, volume variations of both the expansion and the compression cylinders are approximated to piecewise linear function of the crank angle, which make it possible to specify the mass flow direction of each cylinder a priori to solve a set of basic equation. In consequences, an engine cycle can be considered as a combination of 4-type fundamental process. For each process, pressure is obtained as a solution of the algebraic equation. Application of the cyclic steady condition to the whole cycle completes the analysis. Further investigations result in analytical expressions for cyclic heat and work in terms of dependent variables determined from the pressure. The results are expected useful in establishing the preliminary design conditions of Stirling Engines.

• Journal of the Korean Chemical Society
• /
• v.27 no.1
• /
• pp.9-17
• /
• 1983

The effect of pressures and temperatures on the stabilities of the durene-iodine charge transfer complex have been investigated through ultraviolet spectrophotometric measurements in n-hexane. The stabilities of complexes were measured at 25, 40 and $60^{\circ}C$ under $1{\sim}1600$ bars. The equilibrium constant of the complex was increased with pressure and decreased with temperature raising. The absorption coefficient was increased with both pressure and temperature. Changes of volume, enthalpy, free energy and entropy for the formation of complexes were obtained from the equilibrium constants. The red-shift observed at a higher pressure, the blue-shift at a higher temperature, and the relation between pressure and oscillator strength were discussed by means of thermodynamic functions.