• Atmosphere
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• v.28 no.2
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• pp.211-222
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• 2018

Cloud droplet activation process is well described by $K{\ddot{o}}hler$ theory and several parameterizations based on $K{\ddot{o}}hler$ theory are used in a wide range of models to represent this process. Here, we test the two different method of calculating the solute effect in the $K{\ddot{o}}hler$ equation, i.e., osmotic coefficient method (OSM) and ${\kappa}-K{\ddot{o}}hler$ method (KK). To do that, each method is implemented in the cloud droplet activation parameterization module of WRF-CHEM (Weather Research and Forecasting model coupled with Chemistry) model. It is assumed that aerosols are composed of five major components (i.e., sulfate, organic matter, black carbon, mineral dust, and sea salt). Both methods calculate similar representative hygroscopicity parameter values of 0.2~0.3 over the land, and 0.6~0.7 over the ocean, which are close to estimated values in previous studies. Simulated precipitation, and meteorological variables (i.e., specific heat and temperature) show good agreement with reanalysis. Spatial patterns of precipitation and liquid water path from model results and satellite data show similarity in general, but on regional scale spatial patterns and intensity show some discrepancy. However, meteorological variables, precipitation, and liquid water path do not show significant differences between OSM and KK simulations. So we suggest that the relatively simple KK method can be a good alternative to the OSM method that requires various information of density, molecular weight and dissociation number of each individual species in calculating the solute effect.

• Journal of Korean Society on Water Environment
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• v.27 no.6
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• pp.896-904
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• 2011

The features of the capture reaction of $CO_2$ by ammonia solution have been investigated along with the effect of temperature on the reaction based upon computer program-utilizing calculation and thermodynamic estimation. The stable region of $CO{_3}^{2-}$ was observed to increase with temperature and the change of the stable region of $CO{_3}^{2-}$ with temperature was greater than the temperature variation of the stable region of other carbonate species. The distribution diagram for $NH_4{^+}-NH_3$ system was constructed and the rise of temperature resulted in the decrease of the stability of $NH_4{^+}$ ion, which was thought to be due to the endothermic nature of its acidic dissociation. Considering the introduction of $Ca^{2+}$ ion in the carbon capture reaction by $NH_4{^+}$, the temperature was observed to be important in the determination of the order of reaction between carbonate ion and these cations. The removal process of $CO_2$ gas by ammonia solution was presumed to occur in open system and the temperature variations of the concentration of carbonate system species along with their total concentration were calculated for the proper control and design of the real process.

• Resources Recycling
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• v.14 no.4 s.66
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• pp.47-52
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• 2005

Carbonate species in aqueous solution play an important role in the determination of chemical properties of water in relation with alkalinity, buffer capacity, biological productivity, and so on. These compounds also have reactive characteristics such as interphasal reactions between solid, liquid, and gas phases. In the absence of solid materials, the total amount and relative abundance of each carbonate species are directly influenced by the partial pressure of $CO_2$ gas in the atmosphere, which in turn significantly affects the properties of aquatic system. In the water/wastewater treatment process along with the wastes treatment and recycling process which occurring in aquatic environment, it is essential to figure out its characteristics for their optimization and one of its most influential features upon these processes is determined by carbonate species. To understand the fundamental aspect of the relationship between the partial pressure of $CO_2$ gas and chemical features of water, especially pH, the working partial pressure of pure $CO_2$ gas that produced by contacting the dry ice with water has been estimated based on equilibrium calculation. The equilibrium constants for the dissociation ot carbonic acid were determined using van't Hoff equation and the distribution diagram of carbonate species according to the pH has been constructed to substantiate the results of equilibrium calculation. The estimated working partial pressure of pure $CO_2$ gas was found to be a function of the concentration of carbonates in solution, which suggesting that Prior evaluation of the working partial pressure of gas is essential for a better understanding of aquatic interactions.

• Journal of the Korean Chemical Society
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• v.37 no.3
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• pp.294-301
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• 1993

${\pi}$-A isotherms of the Palmitic acid(PA) with increasing pH shifted to the low area/molecule due to the dissociation of PA at the air-water interface. More condensation of PA monolayers occurred by the addition of Mg$^{2+}$, Ca$^{2+}$ and Ba$^{2+}$ ion in subphase. This condensing effect was increased with increasing the concentration of these ions. Due to the interaction with each ion, PA were formed Mg, Ca, Ba-Palmitate complex. The binding structure between alkaline earth ion and carboxylate ligand in PA has been identified by IR spectrometry. The order of condensing effect of alkaline earth ions at pH 8 was Ca$^{2+}$ > Ba$^{2+}$+ > Mg$^{2+}$. The condensing effect except for Mg$^{2+}$ decreased with increasing atomic number. Whereas, the condensing effect in pure water system decreased with decreasing atomic number in the sequence: Ba$^{2+}$ > Ca$^{2+}$ > Mg$^{2+}$. The miscibility of binary system of PA and hexadecanol in monolayer showed that the miscibility was good for the pure water system. But, in the buffered pH 8 system, bad miscibility was found.

• Applied Biological Chemistry
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• v.48 no.2
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• pp.115-119
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• 2005

The catalytic hydrolysis reactivities of dinuclear nickel (II) complex, ${\mu}-aquapentaaqua[{\mu}-3,6-bis(6'-methyl-2'-pyridyl)pyridazine]chlorodinickel\;(II)$ trichloride trihydrate (APNT) for bis(p-nitrophenyl) phosphate (BNPP) as a DNA model compound were investigated. The dissociation constants of APNT were $pKa_1=7.9$ and $pKa_2=9.6$, respectively. The hydrolysis rate constant of BNPP compound by APNT was showed the rate enhancement of about 370,000 times in the case of none catalyst at pH 7.0 and $50^{\circ}C$. Based on the findings, we proposed the catalytic cycle for the hydrolysis of BNPP by APNT complex. The metal ions of dinuclear nickel (II) complex significantly enhance the transfer rate of phosphoryl group in the catalytic process and the water molecules as nucleophile and proton transfer agent act in different steps.

• Journal of the Korean Chemical Society
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• v.64 no.1
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• pp.30-37
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• 2020

The purpose of this study was to identify the problems faced by students in sub-microscopic representation of acid-base reactions. Herein, we selected 30 students of 12^th grade science classes, who had studied various acid-base models. In order to investigate the sub-microscopic representation ability of the students, we developed nine items related to various contexts, such as one type of solute and solvent, two types of solutes and solvent, cases with water as solvent or with nonaqueous solvents. For all items, we consistently observed lack of concept of chemical change. In context of aqueous and nonaqueous solutions, the frequency of lack of concept of chemical bonding was high if ammonia was the solute or solvent. Moreover, the frequency of lack of concept related to the degree of electrolytic dissociation was high. Therefore, chemistry teachers should understand that students' ability to sub-microscopic representation of acid-base reactions can be enhanced by analyzing the difficulties faced by the students in solving diverse acid-base problems.

• Journal of the Korean Applied Science and Technology
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• v.17 no.3
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• pp.158-166
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• 2000

A conductimetric study of foam formed from mixture of the protein, ${\beta}-lactoglobulin$, and the nonioinc surfactant, SML, revealed that their stability was reduced at concentrations of SML in the range $3{\sim}10mM$. The interaction of SML with ${\beta}-lactoglobulin$ was investigated by fluorimetry and a dissociation constant of $0.2{\mu}M$ was calculated for the complex. Surface tension studies confirmed the presence of interaction between the two components and provided evidence for the progressive displacement of ${\beta}-lactogloblin$ from the air/water interface with increasing SML concentration. Experiments using air-suspended microscopic thin liquid films revealed transitions in the chainage characteristics and thickness of the film at SML concentrations below that which resulted in destabilization of the foam. However, measurements of surface mobility of fluorescent-labeled ${\beta}-lactoglobulin$ by a photobleaching method identified that a transition to a mobile system occurred at a SML concentration which correlated with the onset of instability in the disperse phase. The results would indicate that maintenance of the viscoelastic properties of the surface is paramount importance in determining the stability of interfaces comprising mixtures of protein and surfactant.

• Journal of the Korean Institute of Gas
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• v.6 no.4 s.18
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• pp.8-16
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• 2002

Since hydrate has been discovered on the earth, many numbers of experimental studies have been conducted for characterizing the fundamental properties of hydrates, such as equilibrium conditions, thermodynamic properties, structures, kinetics, etc. It is considered naturally occurred hydrates in porous rocks have a great potential as a future of unconventional energy resources, and the investigations of formation and dissociation of hydrates in porous media are required. In this study, an experimental apparatus was designed to perform experiments of hydrates in porous core. With the apparatus developed, firstly, isochoric experiments were conducted to find hydrate equilibrium conditions in porous media, and the results were compared with reference data to verify experimental apparatus and methods in this study. Secondly, experiment of formation was examined by observing the behaviors of pressure and electrical resistance and the effects of initial water saturation on formation were analysed.

• Journal of the Korean Ceramic Society
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• v.46 no.6
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• pp.695-699
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• 2009

We studied the transfer of oxygen vacancy and proton in Y-doped BaZr$O_3$ (BYZ) using density functional theory (DFT). An oxygen vacancy was generated in the $2{\times}2{\times}2$ BYZ superstructure by replacing two Zr atoms with two Y atoms to satisfy the charge neutrality condition. The O vacancy transfer between the first and second nearest O atom sites from a Y atom showed the lowest activation energy barrier of 0.42 eV, compared to the other transfers between first and first, and second and second in the superstructure. Two protons were inserted in the structure by adding a proton and hydroxyl that were supplied by the dissociation of a water molecule. The two protons bonded to the first and second nearest O atoms were energetically the most favorable. The activation energy barrier for a proton transfer in the structure was 0.51 eV, when either proton transferred to its neighbor O atom. This value was well matched with the experimentally determined one.

• Proceedings of the Korean Society of Applied Pharmacology
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• 1995.04a
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• pp.81-81
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• 1995

It is well known that Src Homology 2(SH2) domain in many intracellular signal transduction proteins is very important. The domain has about 100 amino acid residues and bind phosphotyrosine-containing peptide with high affinity and specificity. Lck SH2 domain is a Src-like, lymphocyte-specific tyrosine kinase. An 11-residue phosphopeptide derived from the hamster polvoma middle-T antigen, EPQp YEEIPIYL, binds with an 1 nM dissociation constant to Lck SH2 domain. And it is known that the phosphotyrosine and isoleucine residues of the peptide are tightly bound by two well-defined pockets on Lck SH2 domain's surface. To investigate the conformational changes during complexation of SH2 domain with phosphopeptide we have performed the molecular dynamics simulation for Lck SH2 domain with peptide and peptide-free form at look in aqueous solution. More than 3000 water molecules were incorporated to solvate Lck SH2 domain and peptide. Periodic boundary condition has been applied in molecular dynamics simulation. Data analysis with the results of that simulation shows that the phosphopeptide makes primary interaction with the Lck SH2 domain at six central residues, The comparison of the complexed and uncomplexed SH2 domain structures in solution has revealed only relatively small change. But the hydrophilic and hydrophobic pockets in the protein surface show the conformational changes in spite of the small structural difference between the complex and peptide-free forms.