• Title/Summary/Keyword: Thermodynamic function

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A Study on Charge-Transfer Complexes of Naphthalene and Derivatives of Naphthalene with Chloranil (나프탈렌 및 그 유도체들과 클로라닐의 전하이동 착물에 관한 연구)

  • Jung-Dae Moon;Chun-Hag Jang
    • Journal of the Korean Chemical Society
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    • v.37 no.3
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    • pp.335-343
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    • 1993
  • The maximum absorption wavelengths of charge-transfer complexes of naphthalene, ${\alpha}-and{\beta}-methyl$ naphthalene and 1,2-, 2,3-and 2,6-dimethyl naphthalene with chloranil have been measured with a UV spectrophotometer in ethylene chloride, methylene chloride, and chloroform at 10, 15, 20, and 25$^{\circ}C$. This absorption band was interpreted as the charge transfer band of a 1 : 1 molecular complex, and the maximum absorption wavelength was changed as a function of solvent and temperature. Their formation constants (K$_f$) were decreased with the polarity of solvent and the increase of temperature. Thus, the influences of solvent and temperature on the formation constant have been discussed as consideration of thermodynamic properties, and the electronic and steric effects of electron donors on formation constant have been also discussed.

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Selective transport of Cadmium by PVC/Aliquat 336 polymer inclusion membranes (PIMs): the role of membrane composition and solution chemistry

  • Adelung, Sandra;Lohrengel, Burkhard;Nghiem, Long Duc
    • Membrane and Water Treatment
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    • v.3 no.2
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    • pp.123-131
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    • 2012
  • This study investigated the extraction and stripping performance of PIMs consisting of PVC and Aliquat 336. Extraction and stripping of three representative heavy metals - namely $Cd^{2+}$, $Cu^{2+}$, and $Zn^{2+}$ - by the synthesized membranes were evaluated as a function of sodium chloride concentration and under different stripping solutions (0.01 M $HNO_3$, Milli-Q water, 0.01 M HCl and 0.01 M NaOH), respectively. Results reported here indicate that the formation of negatively charged metal chloride complex species was responsible for the extraction of the target metal to PIMs. Experimental results and thermodynamic modeling of the speciation of chloro metal complexes further confirm that the extraction selectivity between $Cd^{2+}$, $Cu^{2+}$ and $Zn^{2+}$ can be controlled by regulating the chloride concentration of the feed solution. An acidic solution without any chloride was the most effective stripping solution, followed by Milli-Q water, and a diluted hydrochloric acid solution. On the other hand, the stripping of metals from PIMs did not occur when a basic stripping solution was used.

The Response of soil surface heat budget to the precipitation (지표면 열수지의 강수응답성에 관한 연구)

  • 황수진;진병화
    • Journal of Environmental Science International
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    • v.3 no.2
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    • pp.89-100
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    • 1994
  • It is very important to assess accurately the terms which are included in the heat budget equation of soil surface because they are used in the UM and miso-scale circulation modeling as well as in the micrometeorological studies. Each terms in the heat budget equation change according to the soil moisture content. So, it is necessary to specify clearly the relations between soil moisture content and these terms. Special experiment with micrometeorological measurements was executed to study these relations at Environmental Research Center of Tsukuba University, Japan. The results are as follow: 1. The soil moisture contents of 1 cm and 4 cm depth are oscillated with one day Period in drying process and the amplitude of variation of 1 cm depth is greater than that of 4 cm. 2. Increase in soil moisture contents due to precipitation result in decrease of albedo with step function. 3. Sensible heat is in reverse proportion to the soil moisture content and latent heat is in direct proportion to it. Latent heat is more sensitive than sensible heat according to the soil moisture variation. Net long wave radiation have high correlation with soil moisture. 4. Comparing with the radiative term with the flux term in wetting process due to precipitation, the energy transfer of the aero and thermodynamic flux is greater than that of the radiative heat flux.

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Optical properties and thermodynamic function properties of undoped and Co-doped $Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$ Single Crystals ($Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$$Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}:Co^{2+}$ 단결정의 광학적 특성과 열역학 함수 추정)

  • Hyun, Seung-Cheol;Kim, Hyung-Gon;Kim, Duck-Tae;Park, Kwang-Ho;Park, Hyun;Oh, Seok-Kyun
    • Proceedings of the KIEE Conference
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    • 2002.06a
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    • pp.88-93
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    • 2002
  • $Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$ and $Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}:Co^{2+}$ + single crystals were grown by CTR method. The grown single crystals have defect chalcopyrite structure with lattice constant a= 5.5966A. c= 10.8042${{\AA}}$ for the pure. a= 5.6543${{\AA}}$. c= 10.8205${{\AA}}$ for the Co-doped single crystal. respectively. The optical energy band gap was given as indirect band gap. The optical energy band gap was decreased according to add of Co-impurity. Temperature dependence of optical energy band gap was fitted well to the Varshni equation. From this relation. we can deduced the entropy. enthalpy and heat capacity. Also. we can observed the Co-impurity optical absorption peaks assigned to the $Co^{2+}$ ion sited at the $T_d$ symmetry lattice and we consider that they were attributed to the electron transitions between energy levels of ions.

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Temperature dependence of thermodynamic function in Zn4SnSe6 and Zn4SnSe6:Co2+(0.5mol%) single crystals (Zn2SnSe6 및 Zn4SnSe6:Co2+(0.5mol%) 단결정에서 열역학적 함수의 온도의존성)

  • Kim, Nam-Oh;Kim, Hyung-Gon;Kim, Duck-Tea;Sung, Heo-Jun
    • The Transactions of the Korean Institute of Electrical Engineers P
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    • v.52 no.2
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    • pp.68-73
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    • 2003
  • $Zn_4SnSe_6$ and $Zn_4SnSe_6:Co^{2+}$ single crystals were grown by the chemical transport reaction(CTR) method. They were crystallized in the monoclinic structure. These temperature dependence of the optical energy gap were closely investigated over the temperature range 10[K]~300[K]. The direct energy gaps of $Zn_4SnSe_6$ and $Zn_4SnSe_6$:$Co^{2+}$ single crystals were given by 2.146[eV] and 2.042[eV] at 300[K]. The temperature dependence of the optical energy gap is well presented by the Varshni equation.

A Study of the Ionic Association of the Substituted N-Methyl Pyridinium Iodides (I). N-Methyl Pyridinium Iodide in Ethanol-Water Mixture

  • Jee, Jong-Gi;Kwun, Oh-Cheun
    • Bulletin of the Korean Chemical Society
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    • v.5 no.1
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    • pp.44-49
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    • 1984
  • The ionic association constant (K) of N-methyl pyridinium iodide (NMPI) ion in several ethanol-water mixtures were determined by the combination of UV spectroscopy and conductance measurements using the Shedlovsky function as a correction factor. The measurement of electrical conductance and UV absorption were performed in 95, 90, 80 and 60 volume percentages of ethanol in the solvent mixture at 15, 25, 35 and 45 $({\pm}0.1)^{\circ}C$. The ion size parameter $(r_A+_D-)$ and the dipole moment $({\mu}_A+_D-)$ of NMPI ion were obtained from he linear plots of ln K vs. (1/D) and (D-1)/(2D+1), respectively. These ${\mu}_A+_D-$ values were in good agreement with the values of transition moment calculated from the equation, ${\mu}_{nm}=6.5168{\times}10^{-2}{\times}({\varepsilon}_{max}{\frac{\bar{\nu}_{\frac{1}{2}}}{\bar{\nu}_{max}})^{\frac{1}{2}}$ (Debye) which we have derived. The thermodynamic parameters indicate (1) that the water dipoles have an ordered rearrangement around the dipolar NMPI ions rather than the configuration existing in bulk free waters; and (2) that the equilibrium state between NMPI ion and its component ions are controlled by entropy.

Chain Ordering Effects in the Nematic-Isotropic Phase Transition of Polymer Melts

  • Han Soo Kim;Hyungsuk Pak;Song Hi Lee
    • Bulletin of the Korean Chemical Society
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    • v.12 no.2
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    • pp.199-206
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    • 1991
  • A statistical thermodynamic theory of thermotropic main-chain polymeric liquid crystalline melts is developed within the framework of the lattice model by a generalization of the well-known procedure of Flory and DiMarzio. According to the results of Vasilenko et al., the theory of orientational ordering in melts of polymers containing rigid and flexible segments in the main chain is taken into account. When the ordering of flexible segments in the nematic melt is correlated with that of rigid mesogenic groups, the former is assumed to be given as a function of the ordering of rigid mesogenic cores. A free energy density that includes short-range packing contributions is formulated. The properties of the liquid-crystalline transiton are investigated for various cases of the system. The results calculated in this paper show not only the order-parameter values but also the first-order phase transition phenomena that are similar to those observed experimentally for the thermotropic liquid-crystalline polymers and show the transitional entropy terms which actually increase upon orientational ordering. In the orientational ordering values, it is shown that mesogenic groups, flexible segments, and gauche energy (temperature) may be quite substantial. Finally, by using the flexibility term, we predict the highly anisotropic mesophase which was shown by Vasilenko et al.

Near-IR Spectroscopic Studies of the Hydrogen Bonding Between Thiopropionamide and N,N-Dimethylalkylamide in Carbon Tetrachloride (사염화탄소 중에서 Thiopropionamide와 N,N-Dimethylalkylamide사이의 수소결합에 관한 분광학적 연구)

  • Byung-Chul Kim;Chang-Ju Yoon;Kyuseok Song;Young Sang Choi
    • Journal of the Korean Chemical Society
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    • v.33 no.2
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    • pp.156-163
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    • 1989
  • The $ν_a+amide II$ combination band of thiopropionamide has been recorded for investigation of Hydrogen bonding between thiopropionamide (TPA) and N,N-dimethylalkylamide (DMF, DMA and DMP) in carbon tetrachloride over the range of $5^{\circ}$ to $55^{\circ}$. The combination band of monomeric TPA and hydrogen-bonded TPA can be resolved by Lorentzian-Gaussian product function into monomeric TPA and hydrogen-bonded TPA with amides. The association constants ($K_1$) for the hydrogen-bonded TPA were calculated by the concentrations of the monomeric TPA and the hydrogen-bonded TPA obtained from the computer resolved absorption bands. Thermodynamic parameters for the Hydrogen bonding have been evaluated by the analysis of the temperature dependent spectra. The ${\Delta}$$H^{\circ}$ of hydrogen-bonded TPA with DMF, DMA and DMP have been found to be-12.5, -13.5 and -14.1 kJ/mol, respectively. The corresponding ${\Delta}$$S^{\circ}$for the above system were -15.2, -17.9 and -22.3 J/mol${\cdot}$deg, respectively.

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Estimation of Uncertainty in Critical Flow Function for Natural Gas (천연가스의 임계유동함수 불확도 평가)

  • Ha, Young-Cheol
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.38 no.7
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    • pp.625-638
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    • 2014
  • In this study, the uncertainties in the critical flow functions (CFFs) calculated by the AGA8-dc equation of state were estimated. To this end, the formulas for enthalpy, entropy, and speed of sound, which are used in calculating the CFF, were expressed in the form of dimensionless Helmholtz free energy and its derivatives, and the uncertainty in Helmholtz free energy was inferred. To consider the variations in the compressibility-dependent variables induced by the variation (i.e., uncertainty) in compressibility, the form of the AGA8-dc equation was modified to have a deviation equal to the uncertainty under each flow condition. For each independent uncertainty component of the CFF, a model for uncertainty contribution was developed. All these changes were applied to GASSOLVER, which is KOGAS's thermodynamic database. As a result, the uncertainties in the CFF were estimated to be 0.025, 0.055, and 0.112 % at 10, 50, and 100 bar, respectively, and are seen to increase with the increase in pressure. Furthermore, these results could explain the deviations in the CFFs across the different labs in which the CFF international comparison test was conducted under the ISO management in 1999.

Evaluation of Critical Flow Function by Using Helmholtz Free Energy for Natural Gas Flow Measurement (천연가스 유량 측정에서 헬름홀츠 자유에너지를 이용한 임계유동함수 계산)

  • Ha, Young-Cheol;Her, Jae-Young
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.37 no.12
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    • pp.1167-1173
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    • 2013
  • This study aimed to calculate the CFFs (critical flow functions) of a sonic nozzle bank with a 12-nozzle package within 1 s. Toward this end, the Helmholtz free energy of natural gas was formulated by using the AGA8-dc equation of state in a form without integral terms, and thereafter, thermodynamic properties such as the enthalpy, entropy, speed of sound, and heat capacity, which are used in CFF calculation, were derived in analytical form. As a result, the calculation time of CFFs was improved from 6.7 s in a previous study to 0.6 s per 12-nozzle package and kept almost constant regardless of the number of components in natural gas. Furthermore, it was confirmed that the calculated CFF values were in agreement with the results of a CFF international comparison test carried out under ISO management in 1998-1999.