• Title/Summary/Keyword: Thermodynamic Parameters

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A Study on High-resolution Numerical Simulation with Detailed Classification of Landuse and Anthropogenic Heat in Seoul Metropolitan area (수도권지역의 지표이용도 및 인공열 상세적용에 따른 고해상도 수치실험 연구)

  • Lee, Hankyung;Jee, Joon-Bum;Min, Jae-Sik
    • Korean Journal of Agricultural and Forest Meteorology
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    • v.19 no.4
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    • pp.232-245
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    • 2017
  • In this study, the high-resolution numerical simulation results considering landuse characteristics are analyzed by using single layer Urban Canopy Model (UCM) in Weather Research Forecast (WRF). For this, the impact of urban parameters such as roughness length and anthropogenic heat in UCM is analyzed. These values are adjusted to Seoul metropolitan area in Korea. The results of assessment are verified against observation from surface and flux tower. Forecast system equipped with UCM shows an overall improvement in the simulations of meteorological parameters, especially temperature at 2 m, surface sensible and latent heat flux. Major contribution of UCM is appreciably found in urban area rather than non-urban. The non-urban area is indirectly affected. In simulated latent heat flux, applying UCM is possible to simulate the change similarly with observations on urban area. Anthropogenic heat employed in UCM shows the most realistic results in terms of temperature and surface heat flux, indicating thermodynamic treatment of UCM could enhance the skills of high resolution forecast model in urban and non-urban area.

Thermodynamic Properties for the Chemical Reactions of [Cu(dl-trans-[14]-diene)]$^{2+}$ with S$_2O_3^{2-},\;SCN^-,\;I^-\;and\;NO_2^-$ ([Cu(dl-trans-[14]-diene)]$^{2+}$ 착이온과 음이온 (S$_2O_3^{2-},\;SCN^-,\;I^-$ 및 NO$_2^-$)간의 화학반응에 대한 열역학적 성질 (${\Delta}G;\;{\Delta}H;\;{\Delta}V$))

  • Yu Chul Park;Jong Chul Byun
    • Journal of the Korean Chemical Society
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    • v.29 no.3
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    • pp.239-246
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    • 1985
  • The equilibria of chemical reaction between [Cu(dl-trans-[14]-diene)]$^{2+}$ and L$^{n-}$(S$_2$O$_3^{2-}$, SCN$^-$, I$^-$, NO$_2^-$) ions were studied by the spectrophotometric method in the range of 15 to 35$^{\circ}C$ and 1 to 1500bar. The equilibrium constants(K) for L$^{n-}$ = S$_2$O$_3^{2-}$, SCN$^-$, I$^-$ and NO$_2^-$ ions at 25$^{\circ}C$ and 1500bar were 3.0, 1.9, 0.6 and 0.5, respectively. The values of K decreased with increasing pressure and temperature. From the temperature effect on equlibrium constant, the thermodynamic parameters(${\Delta}G^{\circ}$, ${\Delta}H^{\circ}$, ${\Delta}S^{\circ}$) of reaction were evaluated and the reactions of [Cu(dl-trans-[14]-diene)]2+ ion with S$_2$O$_3^{2-}$, SCN$^-$ and I$^-$ except NO$_2^-$ ion were exothermic. The volume changes of reaction(${\Delta}$V) had positive values for all the used anions. The values of ${\Delta}$V in cm$^3$/mole for S$_2$O$_3^{2-}$ ion at 1,500, 1,000 and 1,500bar were 26, 22, 19 and 16, and those for S$_2$O$_3^{2-}$, SCN$^-$, I$^-$ and NO$_2^-$ ions at atmospheric pressure 26, 30, 64 and 45, respectively. Bonding character between Cu(Ⅱ)-complex ion and L$^{n-}$ was discussed by comparing both the equlibrium constants experimentally determined and those calculated according to Fuoss's ion-pair equation in case of S$_2$O$_3^{2-}$ ion.

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Comparative Study on the Estimation of CO2 absorption Equilibrium in Methanol using PC-SAFT equation of state and Two-model approach. (메탄올의 이산화탄소 흡수평형 추산에 대한 PC-SAFT모델식과 Two-model approach 모델식의 비교연구)

  • Noh, Jaehyun;Park, Hoey Kyung;Kim, Dongsun;Cho, Jungho
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.18 no.10
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    • pp.136-152
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    • 2017
  • The thermodynamic models, PC-SAFT (Perturbed-Chain Statistical Associated Fluid Theory) state equation and the Two-model approach liquid activity coefficient model NRTL (Non Random Two Liquid) + Henry + Peng-Robinson, for modeling the Rectisol process using methanol aqueous solution as the $CO_2$ removal solvent were compared. In addition, to determine the new binary interaction parameters of the PC-SAFT state equations and the Henry's constant of the two-model approach, absorption equilibrium experiments between carbon dioxide and methanol at 273.25K and 262.35K were carried out and regression analysis was performed. The accuracy of the newly determined parameters was verified through the regression results of the experimental data. These model equations and validated parameters were used to model the carbon dioxide removal process. In the case of using the two-model approach, the methanol solvent flow rate required to remove 99.00% of $CO_2$ was estimated to be approximately 43.72% higher, the cooling water consumption in the distillation tower was 39.22% higher, and the steam consumption was 43.09% higher than that using PC-SAFT EOS. In conclusion, the Rectisol process operating under high pressure was designed to be larger than that using the PC-SAFT state equation when modeled using the liquid activity coefficient model equation with Henry's relation. For this reason, if the quantity of low-solubility gas components dissolved in a liquid at a constant temperature is proportional to the partial pressure of the gas phase, the carbon dioxide with high solubility in methanol does not predict the absorption characteristics between methanol and carbon dioxide.

Numerical Investigation of Exhaust Gas Recirculation Effect under Boost Pressure Condition on Homogeneous Charge Compression Autoignition (HCCI엔진의 과급조건에서 EGR영향에 대한 수치해석적 연구)

  • Oh, Chung Hwan;Jamsran, Narankhuu;Lim, Ock Tack
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.38 no.6
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    • pp.451-464
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    • 2014
  • This study used numerical methods to investigates investigate the exhaust gas recirculation (EGR) effect under the condition of boost pressure condition on a homogeneous charge compression ignition (HCCI) combustion engine using numerical methods. The detailed chemical-kinetic mechanisms and thermodynamic parameters for n-heptane, iso-octane, and PRF50 from the Lawrence Livermore National Laboratory (LLNL) are were used for this study. The combustion phase affects the efficiency and power. To exclude these effects, this study decided to maintain a 50 burn point (CA50) at 5 CA after top dead center aTDC. The results showed that the EGR increased, but the low temperature heat release (LTHR), negative temperature coefficient (NTC), and high temperature heat release (HTHR) were weakened due by theto effect of the O2 reduction. The combined EGR and boost pressure enhanced the autoignition reactivity, Hhence, the LTHR, NTC, and HTHR were enhanced, and the heat-release rate was increased. also In addition, EGR decraeased the indicated mean effective pressure (IMEP), but the combined EGR and boost pressure increased the IMEP. As a results, combining the ed EGR and boost pressure was effective to at increase increasing the IMEP and maintaining the a low PRR.

The Pressure Effect of the Association of 2,4,6,N-Tetramethyl Pyridinium Iodide in Ethanol-Water Mixture (에탄올-물 혼합용매내에서 2,4,6,N-Tetramethyl Pyridinium Iodide의 회합에 대한 압력효과)

  • Jung-Ui Hwang;Jong-Gi Jee;Young-Hwa Lee;Uei-Ha Woo
    • Journal of the Korean Chemical Society
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    • v.28 no.2
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    • pp.79-85
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    • 1984
  • The ionic association constant(K) of 2,4,6, N-tetramethyl pyridinium iodide (TeMPI) in 95 volume percentage ethanol-water mixture were determined by a modified UV and conductance method at $25^{\circ}C$ to $50^{\circ}C$ under 1 to 2,000 bars. The K values increase with increasing pressure and have maximum value at $40^{\circ}C$. The partial molar volume hange (${\Delta}V$) has relatively small negative value and the absolute values of ${\Delta}$ are minimum at $40^{\circ}C$. The ion size parameter(a) of TeMPI have maximum value at $40^{\circ}C$. {\Delta}H^{\circ}$ values are zero, positive and negative at 40^{\circ}C$, $25^{\circ}C$ and $50^{\circ}C$ respectively. Other thermodynamic parameters such as the changes of standard entropy ({\Delta}S^{\circ}$) and free energy {\Delta}G^{\circ}$ were evaluated. From these experimental results, we came to conclusion that TeMPI is stabilized by the elevation of pressure and that of temperature below $40^{\circ}C$ but weakly dimerized at $40^{\circ}C$ because of the intermolecular hydrophobic interaction of eight methyl groups of two molecules. And it thermally decomposed above $50^{\circ}C$.

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The Thermodynamics of the Formation of Pyridine-Halogen and Interhalogens Charge Transfer Complexes (피리딘과 할로겐 또는 할로겐간 화합물 사이의 전하이동 착물생성에 관한 열역학적 연구)

  • Oh Cheun Kwun;Jin Burm Kyong;Kee Joon Choi
    • Journal of the Korean Chemical Society
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    • v.26 no.6
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    • pp.363-368
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    • 1982
  • Ultraviolet spectrophotometric investigations were carried out on the systems of pyridine with iodine, iodine monobromide and iodine monochloride in carbon tetrachloride. The results reveal the formation of the one to one molecular complexes of the type, $C_5H_5N{\cdot}I_2$, $ C_5H_5$N{\cdot}IBr and $ C_5H_5N{\cdot}ICl$. Considering ${\lambda}_max$ according to the formation of charge transfer complexes has the blue shift with the increasing temperatures$25, 40, 60^{\circ}C$ the equilibrium constants K and molar absorptivities $\varepsilon$ of complexes were obtained. From these values, the thermodynamic parameters ${\Delta}H$, ${\Delta}G$ and ${\Delta}S$ for the formation of the above charge transfer complexes were obtained. These results indicate that the relative stabilities of iodine, iodine monobromide and iodine monochloride complexes with pyridine increase in the order, $ C_5H_5N{\cdot}I_2$ < $ C_5H_5N{\cdot}IBr$ <$ C_5H_5N{\cdot}ICl$. This may be a measure of relative acidity of halogen and interhalogen toward pyridine and can be explained by the polarizabilities of electron acceptors and the difference of electronegativities of halogen atoms.

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Gastric juice and Realgar and Orpiment Mineral Medicine Reaction; Reaction Path and Speciation Modeling in Human Body (웅황과 자황의 소화 반응과 인체내 존재형태에 대한 예측 모델링)

  • Kim Sun Ok;Park Maeng Eon;Shin Soon Shik;Kim Gyeang Cheol
    • Journal of Physiology & Pathology in Korean Medicine
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    • v.16 no.2
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    • pp.365-372
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    • 2002
  • The mineral medicines mean a sort of mineral or rock for medical treatment and natural material using their chemical components and physical properties. In this study, it was apprehended the mineralogical characteristics of As-bearing group mineral medicines. The extraction test is an vitro test system for predicting the bioavailability of the major and minor elements from mineral medicines and incorporates gastrointestinal tract parameters representative of a human(including stomach and small intestinal pH, stomach mixing time and velocity). The results of the extraction test are used for reaction path modeling in human body. Reaction path modeling in human body can predict digestion with gastric juice as well as bioavailability, speciation. Also, it can predict accumulation of arsenic as pH condition. As the results of the extraction test for digestion, the amounts of Fe extraction was the highest, followed by As, Ca, Ni. In addition, as the results of the reaction path modeling between arsenic compounds and gastric juice using thermodynamic data, when absorbed, major species are followed by H₃As₃S/sub 6/(aq), As₃S/sub 6/ (aq), AsO/sup +/, H₂As₃S/sup 6-/, H₂AsO/sup 3-/, HAs₃S6/sup 2-/, HAsO/sub 3//sup 2-/ and AsO/sub 3//sup 3-/. Specifically the concentration of H₃As₃S/sub 6/(aq) is the highest. As pH increases, the concentration of H₂AsO/sup 3-/, HAsO/sub 3//sup 2-/, HAsO/sub 3//sup 3-/, HAs₃S/sub 6//sup 2-/, H₂As₃S/sup 6-/, and H₃As₃S/sub 6/ increases, whereas the concentration of H₃As₃S/sub 6/ and AsO/sup +/ decreases. On the results of this study, it is able to find out effective and toxic components of poisonous arsenic group of mineral medicines and expected to be widely used for the development of new medicines.

Effects of Sulfobutyl Ether $\beta$-Cyclodextrin on Physicochemical Properties of Dexamethasone Dipropionate

  • Moon, Jee-Hyun;Oh, Ik-Sang;Chun, In-Koo
    • Proceedings of the Korean Society of Applied Pharmacology
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    • 1997.04a
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    • pp.116-116
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    • 1997
  • Complex formation of practically insoluble dexamethasone dipropionate (DDP) with ${\beta}$-cyclodextrin (${\beta}$-CD), dimethyl-${\beta}$-cyclodextrin (DMCD), trimethyl-${\beta}$-cyclodextrin (TMCD), 2-hydroxypropyl-${\beta}$-cyclodextrin (HPCD) and sulfobutyl ether ${\beta}$-cyclodextrin (SBCD) in water was investigated by solubility method at various temperatures. Water solubility of DDP was found to be 1.78 $\mu\textrm{g}$/$m\ell$ at 37$^{\circ}C$. Propylene glycol (PG)-water cosolvent increased the solubility of DDP, but the solubilization was not sufficient (8.93 $\mu\textrm{g}$/$m\ell$ in 20% PG). The addition of CD markedly increased the solubility of DDP in water, and A$\sub$L/ type phase solubility diagrams were obtained with ${\beta}$-CD, TMCD, HPCD and SBCD, where the apparent stability constants of the soluble complexes at 25$^{\circ}C$ were determined to be 1388, 216, 1054, and 1992 M$\^$-1/, respectively. However, DMCD remarkably increased the solubility of DDP, and showed an A$\sub$P/ type diagram, suggesting that DMCD forms a soluble complex of high order with DDP. The stability constant for the DDP-DMCD complex at 25$^{\circ}C$ was determined to be 19132 M$\^$-1/. The thermodynamic parameters were calculated for the inclusion complex formation in aqueous solution. CD (1${\times}$10$\^$-2/M) remarkably decreased the partition coefficients of DDP between isopropyl myristate/water in the order of TMCD < ${\beta}$-CD < HPCD < SBCD < DMCD, and in squalane/water system in the order of HPCD < TMCD < ${\beta}$-CD < DMCD < DMCD $\leq$ SBCD. This finding represents that, in a o/w type cream, cyclodextrin complexation with DDP may result in high concentration of DDP in aqueous phase. The permeation of DDP through a cellophane membrane was highly suppressed by the addition of CD, and the degree of suppression was different among CDs, indicating that CD may control the skin permeation of DDP. The dissolution rates of solid dispersions with CDs were much faster than those of drugs alone and corresponding physical mixtures. All DDP-CD solid dispersions exceeded the equilibrium solubility. Consequently these results suggest that complex formation of DDP with CDs may provide useful means to markedly enhance the solubility, and CDs are useful in the semi-solid preparations such as creams and gels for topical application.

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Nitrate and Phosphate Adsorption Properties by Aminated Vinylbenzyl Chloride Grafted Polypropylene Fiber (아민형 PP-g-VBC의 NO3-N과 PO4-P 흡착특성)

  • Lee, Yong-Jae;Song, Jee-June;Na, Choon-Ki
    • Journal of Korean Society of Environmental Engineers
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    • v.38 no.10
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    • pp.543-550
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    • 2016
  • Amine-type PP-g-VBC-EDA adsorbent, which possesses anionic exchangeable function, was prepared through photoinduced graft polymerization of vinylbenzyl chloride (VBC) onto polypropylene non-woven fabric and subsequent amination reaction using ethylenediamine (EDA). Adsorption characteristics of anionic nutrients on the PP-g-VBC-EDA adsorbent have been studied by batch adsorption experiments. The equilibrium data well fitted the Langmuir isotherm model, and the maximum monolayer sorption capacity was found to be 59.9 mg/g for $NO_3-N$ and 111.4 mg/g for $PO_4-P$. The adsorption energies were higher than 8 kJ/mol indicating anion-exchange process as the primary adsorption mechanism. The pseudo-second order kinetic model described well the kinetic data and resulted in the activation energy of 9.8-36.7 kJ/mol suggesting that the overall rates of $NO_3-N$ and $PO_4-P$ adsorption are controlled by the chemical process. Thermodynamic parameters such as ${\Delta}G^o$, ${\Delta}H^o$ and ${\Delta}S^o$ indicated that the adsorption nature of PP-g-VBC-EDA for anionic nutrients is spontaneous and exothermic. The PP-g-VBC-EDA could be regenerated by washing with 0.1 N HCl.

Thermodynamics on the Micellization of Pure Cationic(DTAB, TTAB, CTAB), Nonionic(Tween-20, Tween-40, Tween-80), and Their Mixed Surfactant Systems (순수 양이온성(DTAB, TTAB, CTAB), 비이온성(Tween-20, Tween-40, Tween-80) 및 이들 혼합 계면활성제의 미셀화에 대한 열역학적 연구)

  • Lee, Nam-Min;Lee, Byung-Hwan
    • Journal of the Korean Applied Science and Technology
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    • v.30 no.4
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    • pp.679-687
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    • 2013
  • The critical micelle concentration (CMC) and counter-ion binding constant (B) of the pure cationic surfactants (DTAB, TTAB, CTAB), nonionic surfactants (Tween-20, Tween-40, Tween-80), and their mixed surfactants (TTAB/Tween-20, TTAB/Tween-40, TTAB/Tween-80) in aqueous solutions of 4-chlorobenzoic acid were determined by using the UV/Vis absorbance method and the conductivity method from 284 K to 312 K. Thermodynamic parameters (${\Delta}G^o{_m}$, ${\Delta}H^o{_m}$, and ${\Delta}S^o{_m}$), associated with the micelle formation of those surfactant systems, have been estimated from the dependence of CMC and B values on the temperature and carbon length of surfactant molecules. The calculated values of ${\Delta}G^o{_m}$ are all negative within the measured range but the values of ${\Delta}H^o{_m}$ and ${\Delta}S^o{_m}$ are positive or negative, depending on the length of the carbon chain and surfactant.