• Title/Summary/Keyword: 형성엔탈피

Search Result 75, Processing Time 0.029 seconds

Thermodynamics of Meso substituted Thiacarbocyanines in Solution

  • 손세모
    • Journal of the Korean Graphic Arts Communication Society
    • /
    • v.18 no.2
    • /
    • pp.125-132
    • /
    • 2000
  • To take an information of substitutent effect and thermodynamic of association at thiacarbocyanines, association constant $K_{D}$, free energy of association $\Delta$ $G_{D}$, enthalpies of association $\Delta$ $H_{D}$ were measured by spectrophotometer according to dependence on concentration of dyes and temperature of aqueous MeOH system. With increase of concentration dyes or decrease of temperature of aqueous MeOH system, absorption spectra of dyes exhibited equlilibria shift toward the dimer. Phenyl meso substituted thiacarbicyanine, DyeIII, resulted in higher $K_{D}$ and $\Delta$ $G_{D}$ values than DyeI and DyeII. To easily make an association of thacarbicyanine, meso substutituent group need to be a flat structure, which will make a park as well as lain tiles.tiles.ructure, which will make a park as well as lain tiles.les.

  • PDF

Molecular Orbital Interpretation on the Inhibitory Effect of the Ni(Ⅱ) Complexes with Polyamines and Imidazole Derivatives (Polyamine류와 Imidazole 유도체가 배위된 Ni(Ⅱ) 착물의 저해 효과에 관한 분자궤도함수론적 해석)

  • Kim, Jung-Sung;Song, Young-Dae
    • Journal of the Korean Chemical Society
    • /
    • v.48 no.2
    • /
    • pp.123-128
    • /
    • 2004
  • Quantum chemical quantities, enthalpy of formation(${\Delta}H_f$), HOMO and LUMO energy, and dipole moment(${\mu}_D$) were acquired by AM1, PM3, and ZINDO/1 methods for polyamines and imidazole derivatives. The investigation of the inhibitory activity on some Ni(II) complexes with polyamines and imidazole derivatives is performed by ZINDO/1 calculations. It was found that experimental inhibitory activity(IA) appeared when the value of net charge and enthalpy of formation were over 0.03 and -300 eV, respectively for Ni(II) complexes. These results showed that the Ni(II) complexes have exception on the following very unstable compounds: square pyramidal [Ni(dpt)(tn)])]$^{2+}$(dpt=3,3'-diaminodipropylamine)(tn=1,3-diaminopropane) and distorted tetrahedral [Ni(N-PropIm))$_2$(NCS))$_2$](N-PropIm=N-Propylimidazole).

The J-aggregate of Meso substituted Thiacarbocyanines in MeOH Solution

  • 손세모
    • Journal of the Korean Graphic Arts Communication Society
    • /
    • v.19 no.2
    • /
    • pp.22-29
    • /
    • 2001
  • To take an information of substitutent effect and thermodynamic of J-aggregate at thiacarbocyanines, association constant $K_{J}$ , free energy of association G$_{J}$ , enthalpies of J-aggregate H/suib J/ were measured by spectrophotometer according to dependence on concentration of dyes and temperature of aqueous MeOH and KCl salted-out system. With increase of concentration of dyes exhibited equilibria shift toward the aggregate. Phenyl meso substituted thiacarbycyanine, DyeIII, resulted in higher $K_{j}$ and G$_{J}$ values than DyeI and DyeII. To easily make J-aggregate of thiacarbocyanine, meso substutituene group need to be a flat structure, which will make a park as well as lain tiles.

  • PDF

에틸렌-아크릴산 공중합체/폴리에틸렌글리콜 블렌드의 상용성 연구: Ferric Chloride 첨가효과

  • 이준열;유희진
    • Proceedings of the Korean Fiber Society Conference
    • /
    • 1998.04a
    • /
    • pp.58-62
    • /
    • 1998
  • 고분자 블렌드의 열역학적 상용성은 고분자 혼합물의 혼합 엔트로피가 무시할 수 있을 정도로 작기 때문에 성분 고분자 사이의 강한 분자간 인력에 의한 음의 값의 혼합 엔탈피에 의해서 유도되어진다. 상용성 고분자 블렌드를 얻기 위하여 도입되어질 수 있는 분자간 상호인력으로는 수소결합$^1$, 쌍극자-쌍극자 상호작용$^2$, 이온-쌍극자 상호작용$^3$, 산-염기 상호작용$^4$, 전이금속 복합체 형성$^{5}$ , 전하이동 복합체 형성$^{6}$ 등이다.(중략)

  • PDF

Equilibrium Studies and Thermodynamics for the Mutarotation of Poly(cis-5-methylproline) in Chloroform-Chloroethanol (Chloroform-Chloroethanol 용매중에서 Poly(cis-5-methylproline)의 평형 및 열역학적연구)

  • M. J. Han
    • Journal of the Korean Chemical Society
    • /
    • v.23 no.4
    • /
    • pp.187-197
    • /
    • 1979
  • The molar optical rotation of poly(cis-5-methylproline) was measured in solvent mixtures of chloroform and chloroethanol. After proper allowance for time-dependent mutarota-tions, equilibrium states between form A and form B were observed to occur with a solvent composition of 0.5~10 % chloroethanol in chloroform by volume. From the equilibrium constants, which were calculated by optical rotations at equilibrium measured at three different temperatures (5, 25, and 45 $^{circ}$C), the thermodynamic parameters-free enthalpy, enthalpy and entropy changes for the mutarotation-were evaluated. It was found that starting with equimolar concentrations of form A and form B, the forward mutarotation occurred in the solvent compositions of chloroethanol greater than 3 % by volume, whereas the reverse mutarotation resulted in solvent compositions of chloroethanol less than 3 % by volume. The changes in enthalpy and entropy for the forward mutarotation were found to be positive, while those were for the reverse mutarotation were negative. The driving forces for the forward mutarotation were found to be the increase in entropy, whereas that for the reverse mutarotation was the negative enthalpy change. The thermodynamic data were explained by the interaction between polymer and solvent, i.e., preferential hydrogen bonding of chloroethanol with the carbonyl group in form B over form A, and by difference in conformational energies between form A and form B.

  • PDF

Effect of Saccharides on Texture and Retrogradation of Acorn Starch gels (도토리 전분 겔의 텍스쳐와 노화에 미치는 당류의 영향)

  • Lee, Hyang-Aee;Kim, Nam-Hee
    • Korean Journal of Food Science and Technology
    • /
    • v.30 no.4
    • /
    • pp.803-810
    • /
    • 1998
  • The mechanical and thermal properties of solutions of acorn starch were investigated, to determine the effect of sucrose on the retrogradation. The contents of moisture and amylose of purified acorn starch was 9.35, 27% respectively. From the moecular weight distribution, Mw and Mn of acorn starch were 1,220,432 and 137,201 relatively and the polydispersity of acorn starch was 8.8952. The creep compliance of acorn starch with and without sucrose were decreased with increasing sucrose concentration in the short term. The temperatures of DSC curve of 15% acorn starch solution containg sucrose shifted slightly to higher temperatures with increasing sucrose content. The enthalpy change associated with the gelatinization was increased with increasing sucrose content. After 7 days storage, the creep compliance of acorn starch gel with sucrose were shown higher than acorn starch gel. Regelatinization enthalpy of acorn starch/sucrose/water system was decreased with increasing sucrose content and increased with storage time. In addition, the characteristic temperatures such as onset temperature, peak temperature and conclusion temperature was increased by sucrose addition. Retrogradation ratio decreased with increasing sucrose content, thus sucrose inhibit retrogradation in the long term. Sucrose acts as an antistaling reagents and retatards the retrogradation.

  • PDF

Thermodynamic Properties of Lanthanides Complexes with Benzoylformate Anion (Lanthanides-Benzoylformate 착물 형성에 관한 열역학적 연구)

  • Young-Inn Kim;Sun-Geum Park
    • Journal of the Korean Chemical Society
    • /
    • v.37 no.4
    • /
    • pp.442-447
    • /
    • 1993
  • The thermodynamic parameters (${\Delta}$G, ${\Delta}$H and ${\Delta}$S) of lanthanides(III)-benzoylformate complexes in aqueous solution have been determined in the ionic medium of 0.1M $NaClO_4$ at 25$^{\circ}C$, using pH and enthalpy titration method. The stability constants of the lanthanide(III)-benzoylformate complexes (1 : 1) agree well with the general relationships for the bidentate ligands (e.g., log${\beta}_1$ vs. p$K_a$). Thermodynamic evidences show that the oxygen atom in ketone group is coordinated along with the carboxylate group. It is ascribed to the increasing charge density on the oxygen atom in ketone group due to the conjugation effect in the benzoylformate ligand. Thermodynamic results also indicate that the complexes are stabilized by the enthalpy effect caused by the ionic interaction of metal-oxygen bond as well as the entropy effect.

  • PDF

냉각수가 비등하지 않는 조건에서 용융물의 피막층 형성에 대한 2차원적 해석

  • 조재선;이병철;정창현;김희동
    • Proceedings of the Korean Nuclear Society Conference
    • /
    • 1996.05b
    • /
    • pp.707-712
    • /
    • 1996
  • 중대사고시 원자로 압력용기내 또는 원자로 공동(cavity) 내에서의 노심용융물은 주입되는 물로 인하여 물과 접촉하는 표면이 냉각되면서 피막층(crust)이 형성된다. 이러한 피막층의 형성은 노심용융물과 냉각수 사이의 열전달 현상에 영향을 미치며 중대사고 발생시 사고 진행에 중요한 역할을 한다. 본 연구에서는 이러한 용융물의 피막층 형성의 해석모델을 수립하기 위해 전이현상과 전도와 대류를 포함하는 2차원 열전달과 상변화를 수반하는 문제를 포함하는 운동량방정식과 에너지방정식을 2차원으로 구성하였으며 에너지방정식은 엔탈피의 함수로 나타내었다. 그리고 이러한 2차원 지배방정식을 해석하기 위해 유한차분법 및 SIMPIER 알고리즘을 이용하였다. 비교대상으로는 한국원자력연구소에서 수행한 냉각수의 비등과 기체주입 효과가 고려되지 않은 실험을 대상으로 하였다. 계산결과 용융물의 피막층은 파동(wave) 형태로 형성되었으며 일정시간이 경과하면 변화가 없는 안정한 상태가 되었다. 용융물 내에서의 온도분포는 액체상태일 경우에는 하부가열면과 상변화가 일어나는 경계면부근을 제외하고는 거의 일정한 온도분포를 나타내고 있으며 용융물이 고화된 피막층에서는 급격한 온도변화를 보여주고 있다.

  • PDF

A Study on the Thermal Characterization of Barley ${\beta}-Glucan$ [mixed-linked $(1-3),(1-4)-{\beta}-D-Glucan$] by Differential Scanning Calorimetry (DSC에 의한 보리 ${\beta}-Glucan$ [mixed-linked$(1-3),(1-4)-{\beta}-D-Glucan$의 열적 특성에 관한 연구)

  • Cha, Hee-Sook;Kim, Mi-Ok;Koo, Sung-Ja
    • Korean Journal of Food Science and Technology
    • /
    • v.25 no.1
    • /
    • pp.22-27
    • /
    • 1993
  • Crude ${\beta}-glucan$ extracted from Barley was purified by stepwide enzyme treatment with thermostable ${\alpha}-amylase$, amyloglucosidase and protease. The thermal properties of Barley ${\beta}-glucan$ were investigated by Differential Scanning Calorimetry. Three endotherms have been observed on DSC thermograms of Barley ${\beta}-glucan$. The first endotherm which produced the gelatinization phenomena commonly observed in Barley ${\beta}-glucan$ became the focus of this study. The temperature range and the enthalpy of gelation exhibited maximum values with increasing concentration of Barley ${\beta}-glucan$. Gelating Barley ${\beta}-glucan$ registered an enthalpy of approximately 0.23 cal/g and exhibited onset temperature (To), peak temperature (Tp) and conclusion temperature (Tc) of $48.8^{\circ}C,\;61.2^{\circ}C\;and\;78.5^{\circ}C$ respectively. The temperature and enthalpy of gelatinizing Barley ${\beta}-glucan$ at both alkali and acid conditions were lower than those at pH 7. With salt present, the Tp and Tc of gelating Barley ${\beta}-glucan$ produced lower temperatures than in conditions where salt was absent, and the enthalpy abruptly decreased. However, increasing salt concentrations did not affect the gelation temperature and the enthalpy of Barley ${\beta}-glucan$. The 'true melting' temperature of Barley ${\beta}-glucan$ was near $184^{\circ}C$ and the melting enthalpy was approximately 34.6 cal/g. The Barley ${\beta}-glucan$ decomposition temperature was in the range of $316^{\circ}C{\sim}346^{\circ}C$.

  • PDF