• Title/Summary/Keyword: entropy change

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Sorbent Characteristics of Montmorillonite for Ni2+Removal from Aqueous Solution

  • Ijagbemi, Christianah Olakitan;Kim, Dong-Su
    • Environmental Engineering Research
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    • v.14 no.1
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    • pp.26-31
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    • 2009
  • Sorption of $Ni^{2+}$ in aqueous solution was studied using montmorillonite. The experimental and equilibrium data fitted well to the Langmuir isotherm model. From the kinetics data for nickel sorption onto montmorillonite, the diffusion of $Ni^{2+}$ inside the clay particles was the dorminant step controlling the sorption rate and as such more important for $Ni^{2+}$ sorption than the external mass transfer. $Ni^{2+}$ was sorbed due to strong interactions with the active sites of the sorbent and the sorption process tends to follow the pseudo second-order kinetics. Thermodynamic parameters (${\Delta}G^{\circ},\;{\Delta}H^{\circ},\;{\Delta}S^{\circ}$) indicated a non spontaneous and endothermic adsorption process while the positive low value of the entropy change suggests low randomness of the solid/solution interface during the uptake of $Ni^{2+}$ by montmorilionite. Heavy metals such as $Ni^{2+}$ in aqueous bodies can effectively be sorbed by montmorillonite.

Studies on the Maximum Transfer Rate of Printing Ink (인쇄 잉크의 최대 전이율에 관한 연구)

  • 강상훈
    • Journal of the Korean Graphic Arts Communication Society
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    • v.13 no.1
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    • pp.1-12
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    • 1995
  • Polymeric mesogens having a regularly alternating rigid-flexible repeating structure in the main-chain polymer exhibit distinct even-odd oscillation in their thermodynamic quantities with respect to the number of methylene units in the spacer. The even-odd oscillation depends on the number of methylene groups in the spacer the entropy change at the NI(nematic-isotropic) phase transition becomes less distinct when the linking group is replaced by the carbonate. In our previous work, we have suggested that the characteristics arise from the geometrical arrangement of the linkage. In this work, we have prepared a series of carbonate-type monomer and dimer liquid crystals. The thermodynamic behaviors at the NI phase transition have been compared with those previous reported for the ether- or ester-type liquid crystals. For the dimer series, the orientational order parameter of the mesogenic core was determined by using H-NMR technique. The origin of the difference observed among linking groups was found to the geometrical characteristics of chemical structure.

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Conformational Analysis of Some Antibacterial Agent 4-Aminodiphenyl Sulfones

  • Lee, Sung-Hee;Chung, Uoo-Tae;Kang, Young-Kee
    • Archives of Pharmacal Research
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    • v.13 no.1
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    • pp.43-50
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    • 1990
  • Conformational free energy calculations using an empirical potential function (ECEPP/2) and hydration shell model were carried out on the four-4-aminodiphenyl sulfone analogues of 4, 4'-diamino-2' methyldiphenyl sulfone, 4, 2', 4-triaminodiphenyl sulfone, 4, 4'-diaminodiphenyl sulfone, and 4-aminodiphenyl sulfone as antibacterial agents on Mycobacterium lufu. The conformational energy was minimized from starting conformations which included possible combinations of torsion angles in the molecule. The conformational entropy change of each conformation was computed using a harmonic approximation. To understand the hydration effect on the conformation of the molecule in aqueous solution, the contributions of water-accessible volume and the hydration free energy of each group or atom in the lowest-free-energy conformation was calculated and compared each other. From comparison of the computed lowest-free-energy conformations of four analogues with their antibacterial activities, it is known that the conformation and the hydrophobicity of sulfonyl group and its adjacent carbon atom in each compound are the essential factors to show the strong antibacterial activity.

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A Statistical Perspective of Neural Networks for Imbalanced Data Problems

  • Oh, Sang-Hoon
    • International Journal of Contents
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    • v.7 no.3
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    • pp.1-5
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    • 2011
  • It has been an interesting challenge to find a good classifier for imbalanced data, since it is pervasive but a difficult problem to solve. However, classifiers developed with the assumption of well-balanced class distributions show poor classification performance for the imbalanced data. Among many approaches to the imbalanced data problems, the algorithmic level approach is attractive because it can be applied to the other approaches such as data level or ensemble approaches. Especially, the error back-propagation algorithm using the target node method, which can change the amount of weight-updating with regards to the target node of each class, attains good performances in the imbalanced data problems. In this paper, we analyze the relationship between two optimal outputs of neural network classifier trained with the target node method. Also, the optimal relationship is compared with those of the other error function methods such as mean-squared error and the n-th order extension of cross-entropy error. The analyses are verified through simulations on a thyroid data set.

A Low-elastic MRE Fabrication Process based on the Taguchi Method (다구찌법을 이용한 저탄성 MRE 제조공정 연구)

  • Shin, Dae-Yong;Tariq, Zakria;La, Moon-Woo;Park, Sung-Jea
    • Journal of the Korean Society of Manufacturing Process Engineers
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    • v.19 no.2
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    • pp.55-62
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    • 2020
  • In this study, a PDMS-based low-elasticity magnetorheological elastomer (MRE) was fabricated and the Taguchi method was used to identify the factors affecting the elastic modulus. The mixing entropy was calculated using optical microscopy to confirm particle dispersion, which was referenced in the process establishment. In the MRE process, four parameters, namely the curing agent, particle type, particle fraction, and applied magnetic field, were divided into three levels. The elastic modulus of the specimen was compared at the off-state and at 0.2 T using compression tests, and the obtained signal to noise ratio indicated that the softness and change in the elastic modulus of the MRE was mainly affected by the curing agent and the particle fraction.

Studies on the Natural Dyes(10) -Dyeing properties of safflower yellow for silk fibers- (天然染料에 관한 硏究(10) -홍화 황색소의 견섬유에 대한 염색성-)

  • Cho, Kyung Rae
    • Textile Coloration and Finishing
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    • v.9 no.5
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    • pp.10-18
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    • 1997
  • In order to study the properties of safflower yellow colors, thermodynamic parameters and dyeing properties on the silk in several dyeing conditions were investigated. The uv-visible spectra of safflower yellow colors in several solvents show hypsochromic shift with the polarity of solvent but bathochromic shift with increasing acidity of solution. The apparent diffusion coefficients and standard affinities of dyeing increased with the increase of dyeing temperature. The standard heat of dyeing(${\Delta}H^0$), entropy change(${\Delta}S^0$) and activation energy($E_{act}$) were calculated to be - 1.144kcal/mol, -7.498(5$0^{\circ}C$)~-3.804(9$0^{\circ}C$)cal/molㆍdeg and 0.123kcal/mol, respectively. The concentration of safflower yellow colors in the silk fiber increased with dyeing temperature, time, concentration of colors and acidity of initial dyebath. Silk fabrics were dyed bright yellow by pre-mordanting with tin chloride. Lightfastness of silk fabrics pre-mordanted by tin chloride was not excellent.

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The Effect of Temperature on the Critical Micelle Concentration of Cationic Surfactant for Chemical Dispersants (유처리제용 양이온 계면찰성제의 임계미셀농토에서 온도의 효과)

  • kim, Yeoung-Chan
    • Journal of the Korean Society of Marine Environment & Safety
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    • v.14 no.2
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    • pp.145-148
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    • 2008
  • Cationic surfactant can be used as cosmetics and chemical dispersants. The variation of critical micelle concentration (CMC) with temperature over the range $40^{\circ}C$ to $60^{\circ}C$ for N-octadecyl pyridinium bromide was measured by drop methods. Thermodynamic quantities such as free energy, enthalpy, entropy and heat capacity for micellization of N-octadecyl pyridinium bromide in water were calculated by fourth-degree polynominal equation In the result, free energy change was decreased generally by the increment of temperature.

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NMR Study on the Internal Dynamics of Ketosteroid Isomerase

  • Lee, Hee-Cheon
    • Proceedings of the Korean Biophysical Society Conference
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    • 2003.06a
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    • pp.26-26
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    • 2003
  • The backbone dynamics of ketosteroid isomerase, a homodimeric enzyme with 125 amino acid residues per subunit, has been studied in the presence/absence of a steroid ligand and 5% trifluoroethanol (TFE) by $^{15}$ M relaxation measurements. The relaxation data were analyzed using the model-free formalism to extract the model-free parameters (S$^2$, $\tau$$_{e}$, and R$_{ex}$ ). The results show that a large number of the residues, particularly those involved in the dimer interaction, exhibit reduced order parameters (S$^2$) in the steroid-bound enzyme, indicating the increased high-frequency (pico- to nanosecond) motions in the interface region upon ligand binding. The results also show that that the presence of 5 % TFE in free enzyme causes little change or slight increase in the order parameters for a number of residues in the dimer interface region. However, the majority of the residues in free enzyme exhibit reduced order parameters in the presence of 5 % TFE, indicating that the increase in entropy is partially responsible for the increased stability of KSI by 5% TFE.E.E.

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Scene Change Detection of Video Data Using Color Histogram and Entropy (칼라 히스토그램과 엔트로피를 이용한 동영상 장면전환 검출)

  • Song, Hyun-Seok;An, Myung-Seok;Ahn, Kang-Sik;Cho, Seok-Je
    • Proceedings of the Korea Information Processing Society Conference
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    • 2001.10a
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    • pp.809-812
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    • 2001
  • 내용에 기반한 동영상 검색에서, 하나의 장면을 나타내는 대표 프레임을 자주 이용한다. 이를 위해 동영상의 장면전환을 검출하는 기술이 필요하며, 일반적으로 칼라 히스토그램 비교방법이 많이 쓰인다. 그러나 이는 급격한 밝기변화에 민감하고 칼라 히스토그램 분포가 비슷한 부분의 장면전환을 놓칠 수 있다는 단점이 있다. 본 논문에서는 칼라 히스토그램 비교방법과 엔트로피를 복합적으로 이용하여 이러한 단점을 보완하고자 하였다. 실험을 통해 제안한 방법은 기존의 칼라 히스토그램을 이용한 방법보다 성능이 우수함을 알 수 있었다.

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Transformation of the enthalpy and the entropy in BSCCO:2212-2223 (BSCCO:2212-2223 박막의 엔탈피와 엔트로피 변화)

  • Cheon, Min-Woo;Park, No-Bong;Park, Yong-Pil
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2005.07a
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    • pp.589-590
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    • 2005
  • BSCCO:2212-2223 thin films were fabricated by using the ion beam sputter with a evaporation method at various substrate temperatures, $T_{sub}$, and ozone gas pressures, $pO_3$. The correlation diagrams of the BSCCO phases with Tsub and $pO_3$ are established in the 2212 and 2223 compositional films. In spite of 2212 compositional sputtering, Bi2201 and Bi2223 as well as Bi2212 phases come out as stable phases depending on Tsub and $pO_3$. From these results, the thermodynamic evaluation of ${\Delta}H$ and ${\Delta}S$, which are related with Gibbs' free energy change for single Bi2212 or Bi2223 phase, was performed.

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