• Title/Summary/Keyword: Chemical-structural properties

Search Result 965, Processing Time 0.025 seconds

The Calculation of Physical Properties of Amino Acids Using Molecular Modeling Techniques (II)

  • Lee, Myung-Jae;Kim, Ui-Rak
    • Bulletin of the Korean Chemical Society
    • /
    • v.25 no.7
    • /
    • pp.1046-1050
    • /
    • 2004
  • Six physical properties (enthalpy, density, decomposition temperature, solubility in water, pKa values, and hydronium potential) were examined by molecular modeling techniques. The molecular connectivity index, Wiener distance index, and Ad hoc descriptor are employed as structural parameters to encode information about branching, size, cyclization, unsaturation, heteroatom content, and polarizability. This paper examines the correlation of the molecular modeling techniques parameters and the physicochemical properties of amino acids. As a results, calculated values were in agreement with experimental data in the above six physical properties of amino acids and the molecular connectivity index was superior to the other indices in fitting the calculated data.

The Fundamental Study on Quality Properties of Binary Blended Concrete according to Water Reducing Performance of Chemical Admixture and Estimation Equation of Compressive Strength (화학 혼화제의 감수 성능에 따른 2성분계 콘크리트의 품질특성 및 압축강도 추정식에 관한 기초적 연구)

  • Kim, Kyung-Hwan;Oh, Sung-Rok;Choi, Byung-Keol;Choi, Yun-Wang
    • Journal of the Korea institute for structural maintenance and inspection
    • /
    • v.20 no.1
    • /
    • pp.9-17
    • /
    • 2016
  • In this study, binary blended concrete mix with fly ash and ground granulated blast furnace slag was prepared according to 3 level of water reduction performance of chemical admixture (0%, 8% and 16%) and 3 level of water-cement ratio (40%, 45% and 50%) for evaluation of quality properties of binary blended concrete according to performance of chemical admixture. concrete mix was carried out repetition test of three times in order to secure the reliability. As a result, compressive strength according to performance of chemical admixture was found that difference of strength was about 20% occurred, chemical admixture was showed that a great influence on qualities of concrete. In addition, reflected the effect of performance of chemiacal admixture, prediction model equations for concrete compressive strength was proposed, it was found that more than 85% of the high correlation.

Emission Properties from Induced Structural Degradation of a-C:H Thin Film

  • Yoo, Young-Zo;Song, Jeong-Hwan
    • Transactions on Electrical and Electronic Materials
    • /
    • v.12 no.3
    • /
    • pp.89-92
    • /
    • 2011
  • Hydrogenated amorphous carbon (a-C:H) films were deposited by plasma enhanced chemical vapor deposition on silicon substrates. a-C:H thin film was irradiated to a typical He-Cd laser to study its emitting properties. The photoluminescence (PL) intensity during the irradiation achieved a maximum value when 2,000 seconds elapsed. Fourier transform infrared measurement revealed a-C:H thin film suffered transformation from a polymer-like to graphite-like phase during laser irradiation. Thermal annealing was done at various temperatures, ranging from room temperature to $400^{\circ}C$ in the atmosphere, to investigate structural changes in a-C:H film by heat generation during the emission. PL intensity of a-C:H thin film increased 1.5 times without apparent structural change, as annealing temperature increased up to $200^{\circ}C$. However, a-C:H film above $200^{\circ}C$ exhibited significant decrease of PL accompanying dehydrogenation. This led to a red shift of the PL peak.

Effect of carbonization temperature on crystalline structure and properties of isotropic pitch-based carbon fiber

  • Kim, Jung Dam;Roh, Jae-Seung;Kim, Myung-Soo
    • Carbon letters
    • /
    • v.21
    • /
    • pp.51-60
    • /
    • 2017
  • Isotropic pitch-based fibers produced from coal tar pitch with the melt-blowing method were carbonized at temperatures ranging from 800 to $1600^{\circ}C$ to investigate their crystalline structure and physical properties as a function of the carbonization temperature. The in-plane crystallite size ($L_a$) of the carbonized pitch fiber from X-ray diffraction increased monotonously by increasing the carbonization temperature resulting in a gradual increase in the electrical conductivity from 169 to 3800 S/cm. However, the variation in the $d_{002}$ spacing and stacking height of the crystallite ($L_c$) showed that the structural order perpendicular to the graphene planes got worse in carbonization temperatures from 800 to $1200^{\circ}C$ probably due to randomization through the process of gas evolution; however, structural ordering eventually occurred at around $1400^{\circ}C$. For the carbonized pitch powder without stabilization, structural ordering perpendicular to the graphene planes occurred at around $800-900^{\circ}C$ indicating that oxygen was inserted during the stabilization process. Additionally, the shear stress that occurred during the melt-blowing process might interfere with the crystallization of the CPF.

Effect of change intensity fields of magnetized water on fresh and hardened characteristics of concrete

  • Ali S. Ahmed;Mohamed M.Y. Elshikh;Mosbeh R. Kaloop;Jong Wan Hu;Walid E. Elemam
    • Computers and Concrete
    • /
    • v.31 no.2
    • /
    • pp.97-110
    • /
    • 2023
  • This study investigates experimentally the impact of magnetized water (MW) on the fresh and hardened characteristics of concrete. Five types of MW are produced using magnetic fields of 1.4 and 1.6 Tesla for treating water with 100, 150, and 250 cycles. The concrete properties are assessed using the slump test, compressive strength test, scanning electron microscopy (SEM) analysis, energy dispersive X-ray analysis (EDX), and Fourier transform infrared spectrophotometry (FTIR). Furthermore, the chemical-physical characteristics of tap water (TW) and MW are evaluated. The results showed the magnetic field intensity has a significant impact on the magnetization effect; the best magnetizing conditions were found when TW was exposed successively to magnetic fields of 1.6 T and 1.4 T for 150 cycles. In addition, 150 MW cycles can be used to improve the compressive strength and workability of concrete by 40% and 17%, respectively. pH, total dissolved solids, and electrical conductivity improved by 15%, 17%, and 7%, respectively, when using MW. Additionally, MW can be used to enhance cement hydration chemical processes and made concrete's structure denser.

Connection of spectral pattern of carbohydrate molecular structure to alteration of nutritional properties of coffee by-products after fermentation

  • Samadi;Xin Feng;Luciana Prates;Siti Wajizah;Zulfahrizal;Agus Arip Munawar;Weixian Zhang;Peiqiang Yu
    • Animal Bioscience
    • /
    • v.37 no.8
    • /
    • pp.1398-1407
    • /
    • 2024
  • Objective: The objective of this study was to determine internal structure spectral profile of by-products from coffee processing that were affected by added-microorganism fermentation duration in relation to truly absorbed feed nutrient supply in ruminant system. Methods: The by-products from coffee processing were fermented using commercial fermentation product, consisting of various microorganisms: for 0 (control), 7, 14, 21, and 28 days. In this study, carbohydrate-related spectral profiles of coffee by-products were correlated with their chemical and nutritional properties (chemical composition, total digestible nutrient, bioenergy values, carbohydrate sub-fractions and predicted degradation and digestion parameters as well as milk value of feed). The vibrational spectra of coffee by-products samples after fermentation for 0 (control), 7, 14, 21, and 28 days were determined using a JASCO FT/IR-4200 spectroscopy coupled with accessory of attenuated total reflectance (ATR). The molecular spectral analyses with univariate approach were conducted with the OMNIC 7.3 software. Results: Molecular spectral analysis parameters in fermented and non-fermented by-products from coffee processing included structural carbohydrate, cellulosic compounds, non-structural carbohydrates, lignin compound, CH-bending, structural carbohydrate peak1, structural carbohydrate peak2, structural carbohydrate peak3, hemicellulosic compound, non-structural carbohydrate peak1, non-structural carbohydrate peak2, non-structural carbohydrate peak3. The study results show that added-microorganism fermentation induced chemical and nutritional changes of coffee by-products including carbohydrate chemical composition profiles, bioenergy value, feed milk value, carbohydrate subfractions, estimated degradable and undegradable fractions in the rumen, and intestinal digested nutrient supply in ruminant system. Conclusion: In conclusion, carbohydrate nutrition value changes by added-microorganism fermentation duration were in an agreement with the change of their spectral profile in the coffee by-products. The studies show that the vibrational ATR-FT/IR spectroscopic technique could be applied as a rapid analytical tool to evaluate fermented by-products and connect with truly digestible carbohydrate supply in ruminant system.

Structural Properties of Polyaniline Blended with PNIPAM

  • Neupane, Kosh-Prasad;Ha, Jin-Wook
    • Journal of the Korea Academia-Industrial cooperation Society
    • /
    • v.4 no.3
    • /
    • pp.209-213
    • /
    • 2003
  • Polyaniline (PANi) composite particles were synthesized by chemical oxidation polymerization of aniline in presence of poly-n-isopropyl acryl amide (PNIPAM). The PANi particles formed in the reaction medium deposited onto non-conducting PNIPAM template to produce PANi-coated composite particles. The formation of composite was confirmed by FT-IR spectroscopy, and UV-VIS spectroscopy, and their morphological structures were examined by scanning electron microscopy (SEM). From the experimental results, it was determined that PANi was successfully coated onto non-conducting PNIPAM.

  • PDF

Structural Properties of polyaniline blended with PNIPAM

  • Neupane, Kosh-Prasad;Ha, Jin-Wook
    • Proceedings of the KAIS Fall Conference
    • /
    • 2003.06a
    • /
    • pp.334-336
    • /
    • 2003
  • Polyaniline(PANi) composite panicles were synthesized by chemical oxidation polymerization of aniline in presence of Poly-N-Isopropyl acryl amide(PNIPAM). The PANi panicles are formed in the reaction medium deposited onto non-conducting PNIPAM template to produce PANi-coated composite panicles. The formation of composite was confirmed by FT-IR spectroscopy, and UV-VIS spectroscopy, and their morphological structures were examined by scanning electron microscopy(SEM). From the experimental results, it was determined that PANi was successfully coated onto non-conducting PANIPAM.

  • PDF

FUNCTIONAL PROPERTIES CHANGE OF PIGSKIN COLLAGEN BY CHEMICAL MODIFICATION

  • Lee, M.;Kwon, S.H.
    • Asian-Australasian Journal of Animal Sciences
    • /
    • v.4 no.4
    • /
    • pp.407-410
    • /
    • 1991
  • The relationship between the possible structural change due to chemical modifications and functionality changes was studied in pigskin collagen. Amino groups in collagen were modified by succinylation and reductive alkylation. Carboxyl groups were modified using carbodiimide. Thermal denaturation temperature of collagen increased remarkably by carboxyl groups modification whereas decreased by succinylation and reductive alkylation. Emulsifying capacity was improved by reductive alkylation and carboxyl groups modification while emulsion stability was improved by succinylation. Chemical modifications increased solubility whereas decreased the foaming capacity of collagen. Viscosity of collagen at various pH varied with methods of modification.