• Bulletin of the Korean Chemical Society
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• v.30 no.7
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• pp.1526-1530
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• 2009

Solvent extraction reaction of Zn(II) by Alamine336 from strong HCl solution up to 10 M was identified by analyzing the data reported in the literature. The equilibrium constant of this reaction was estimated by considering the complex formation between zinc and chloride ion. The necessary thermodynamic parameters, such as equilibrium constant for the formation of complexes and the interaction parameters, were evaluated from the thermodynamic data reported in the literature. The following solvent extraction reaction and the equilibrium constant was obtained by considering the activity coefficients of solutes present in the aqueous phase with Bromley equation. $Zn^{2+}\;2Cl^{-}\;+\;R_3NHCl_{org}\;=\;ZnCl_3R_3NH_{org},\;K_{ex}\;=\;6.33\;{\times}\;10^2$ There was a good agreement between measured and calculated distribution coefficients of Zn(II).

• Journal of Korea Foundry Society
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• v.25 no.1
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• pp.36-39
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• 2005

The thermodynamic analysis of deoxidation in molten coppyr by Fe has been made. Equilibrium oxygen solubility saturated with FeO in Cu-Fe-O system has been derived without and with consideration of the solute interaction between Fe and O. The derived relationship of oxygen contents with Fe has been compared with the experimental results done by Kulkarni and the minimum oxygen solubility could be predicted by a simple first order interaction method, Wagner model.

• Korean Chemical Engineering Research
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• v.47 no.6
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• pp.755-761
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• 2009

To a first approximation, phase behavior of a system becomes increasingly skew in proportion to the boiling point difference of system-forming constituents. Therefore, phase behavior data of a system of a large boiling point difference are to be experimentally measured for thorough understanding of the thermodynamic characteristics of such system. In this work, isobaric vapor-liquid equilibrium of a mixture consisting of toluene and cresol, which shows a large boiling point difference of nearly $100^{\circ}C$ and is consequently expected to be considerably nonideal, was measured by using a recirculating equilibrium cell at various subatmospheric pressures ranging from 10 kPa to 60 kPa. The measured VLE data were correlated with NRTL and UNIQUAC models in a satisfactory manner and the accompanying thermodynamic consistency test represented soundness of the measurements. In addition, the excess molar volume of the mixture was also measured with a vibrating densitometer and correlated with a Redlich-Kister polynomial. A negative excess volume prevailed over the whole concentration range, which indicates a favorable attraction between toluene and cresol isomers and results in an extensive miscibility.

• Applied Chemistry for Engineering
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• v.21 no.3
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• pp.295-300
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• 2010

A binary system of 1-propanol and bromochloromethane which exhibits an azeotropic point and a considerable nonideal phase behavior probably due to the large boiling point difference is not amenable in the actual chemical processes such as the distillation tower and absorber. Therefore, experimental data of phase behavior data of this mixture are indispensable in understanding the inherent thermodynamic characteristics for an efficient application of the system in the industrial processes. In this work, the isobaric vapor-liquid equilibrium of a binary mixture consisting of 1-propanol and bromochloromethane was measured by using a recirculating equilibrium cell at various pressures ranging from 30 to 70 kPa. The measured VLE data were correlated in a satisfactory manner by using the UNIQUAC and NRTL models along with the thermodynamic consistency test based on Gibbs/Duhem equation. In addition, the excess molar volume of the mixture was also measured by using a vibrating densitometer and correlated with a Redlich-Kister polynomial.

• Corrosion Science and Technology
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• v.3 no.5
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• pp.198-208
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• 2004

Although there has been no general agreement on the mechanism of primary water stress corrosion cracking (PWSCC) as one of major degradation modes of Ni-base alloys in pressurized water reactors (PWR's), common postulation derived from previous studies is that the damage to the alloy substrate can be related to mass transport characteristics and/or repair properties of overlaid oxide film. Recently, it was shown that the oxide film structure and PWSCC initiation time as well as crack growth rate were systematically varied as a function of dissolved hydrogen concentration in high temperature water, supporting the postulation. In order to understand how the oxide film composition can vary with water chemistry, this study was conducted to characterize oxide films on Alloy 600 by an in-situ Raman spectroscopy. Based on both experimental and thermodynamic prediction results, Ni/NiO thermodynamic equilibrium condition was defined as a function of electrochemical potential and temperature. The results agree well with Attanasio et al.'s data by contact electrical resistance measurements. The anomalously high PWSCC growth rate consistently observed in the vicinity of Ni/NiO equilibrium is then attributed to weak thermodynamic stability of NiO. Redox-induced phase transition between Ni metal and NiO may undermine the integrity of NiO and enhance presumably the percolation of oxidizing environment through the oxide film, especially along grain boundaries. The redox-induced grain boundary oxide degradation mechanism has been postulated and will be tested by using the in-situ Raman facility.

• Bulletin of the Korean Chemical Society
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• v.7 no.6
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• pp.448-453
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• 1986

Two contributions to the activation barrier of the $S_N2$ reaction, intrinsic and thermodynamic, are discussed in connection with the predictive power of various rate-equilibrium relationships. It has been shown that the PES models can only give correct predictions of changes in structure and energy of the transition state if the activation barrier is dictated by the thermodynamic factor. We concluded that the identity and dissociative $S_N2$ reactions are dominated by the intrinsic component while associative $S_N2$ reactions are predominantly of thermodynamic controlled. Thus in the former cases, the PES models fail, whereas in the latter cases predictions based on the intrinsic factor, the quantum mechanical models, fail. Finally in a general case of equal contributions by thermodynamic and intrinsic factors, the $SN_2$ reaction proceeds by a synchronous process with zero net charge on the reaction center, for which predictions of substituent effects will be the same as for the intrinsic control case.

• 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.

• Proceedings of the Korean Powder Metallurgy Institute Conference
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• 2006.09a
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• pp.60-61
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• 2006

In this contribution, we attempted a theoretical analysis on the validity of the widely-accepted idea that rough and singular surfaces can coexist in a crystal at equilibrium. By manipulating the Cahn and Hoffman capillarity vector, the conclusion that a crystal at equilibrium should be composed either of singular surfaces or of rough ones was reached.

• Membrane and Water Treatment
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• v.5 no.4
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• pp.295-304
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• 2014

Adipic acid (hexane-1,6-dioic acid) is one of the most used chemical in industrial applications. This must be separated from any environmental contaminant. In this study, adipic acid separation from wastewater by adsorption method onto Perlite or Perlite + Mn or Perlite + Cu composites was investigated. Adsorption of Adipic acid was investigated in terms of equilibrium, and thermodynamic conditions. For thermodynamic investigations the experiments carried out at three different temperatures (298 K, 318 K, 328 K). In the equilibrium studies, 2 g of perlite and its composites were determined as the optimal adsorbent amount. Freundlich and Langmuir isotherms were applied to the experimental data. Freundlich isotherms for all temperatures used in this work gave some deviations with R square values under 0.98 where as Langmuir isotherm gave good results with R square values upper 0.99 at different temperatures. As a result of thermodynamic studies, adsorption enthalpy (${\Delta}H$), adsorption entropy (${\Delta}S$), and adsorption free energy (${\Delta}G$) have been calculated for each adsorbents.

• Journal of the Korean Ceramic Society
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• v.49 no.1
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• pp.11-18
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• 2012

The characteristic features of solid oxide fuel cells are reviewed from the viewpoint of the thermodynamic variables to be developed inside cells/stacks particularly in terms of gradients of chemical potential, electrical potential and temperature and corresponding flows of air, fuel, electricity and heat. Examples of abrupt destruction of SOFC systems were collected from failures in controlling their steady flows, while continuous degradation was caused by materials behaviors under gradients of chemical potentials during a long operation. The local equilibrium approximation has been adopted in NEDO project on the durability/reliability of SOFC stacks/systems; this makes it possible to examine the thermodynamic stability/reactivity as well as mass transfer under the thermodynamic variable gradients. Major results of the NEDO project are described with a focus on degradation/deterioration of electrolyte and electrode materials.