• Title/Summary/Keyword: Molecular properties

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Structural Properties and Diffusion Behaviors of Liquid Silica at Finite Temperatures (특정 온도에서 용융 실리카의 확산거동 및 구조분석)

  • Lee, Byoung-Min
    • Journal of the Korean Ceramic Society
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    • v.44 no.6 s.301
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    • pp.319-324
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    • 2007
  • The structural properties of $SiO_2$ liquid at finite temperatures have been investigated by molecular dynamics (MD) simulations utilizing the Tersoff interatomic potential. During cooling process, the $SiO_2$ liquid structure quenched with a cooling rate of $1.0{\times}10^{11}K/sec$ shows the traditional properties observed in the experiments. The coordination defects of system decrease with decreasing temperature up to 17%. The $SiO_2$ glass quenched up to 1600 K contains defects consisting of the fivefold coordination of Si, and the threefold coordination of O atoms. The calculated diffusion coefficients which are calculated by monitoring. the mean-square displacement of atoms drop to almost zero below 3000 K ($<10^{-6}\;cm^2/sec$) but has a fluctuations at low temperature. The structure properties of $SiO_2$ liquid shows a significant dependence on the temperature during cooling process. Bond-angle distribution at around $120^{\circ}$ originate from the O and Si atoms consisting of the over-coordinated O atoms.

Thermal and Electro-Optic Properties of a Side Chain Liquid Crystalline Polysilozanes cotaining a Low Molecuar Weight LIquid Crystal

  • Lee, Tae-Jeong;Kim, Eun-Yeong;Huh, Jae-Ho;Wang, Young-Soo;Kim, Han-Do
    • Proceedings of the Korean Fiber Society Conference
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    • 1997.10a
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    • pp.32-35
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    • 1997
  • Aggregation states ans electro-optic properties of a binary mixture by mixing a side chain type liquid crystalline polymer(LCP) and a low molecular weight liquid crystal(LMLC) have been studied. Side chain liquid crystalline polysiloxanes were synthesized from allyl bromide, p-hydroxy benzoic acid, p-cyanophenol, p-methoxyphenol and polysiloxanes. Low molecular weight liquid crystals were synthesized from allyl bromide, p-hydroxy benzoic acid and 4-cyano 4'-hydroxy biphenyl. And then, their properties were compared with blended liquid crystals. The thermal properties of the blended liquid crystals were evaluated using differential scanning calorimetry. The phase behavior of blended sample with temperature were also observed polarized microscope with hot stage. Thus, it seemed to us that a study of LC polysiloxanes with LMLC would be useful, especially in view of the fact that, systematic investigations have been carried out on the effects of changes in LCP/LMLC binary system on the properties of this relatively new type of liquid crystal.

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Molecular Dynamics Simulation Studies of Physico Chemical Properties of Liquid Pentane Isomers

  • 이승구;이송희
    • Bulletin of the Korean Chemical Society
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    • v.20 no.8
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    • pp.897-904
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    • 1999
  • We have presented the thermodynamic, structural and dynamic properties of liquid pentane isomers - normal pentane, isopentane, and neopentane - using an expanded collapsed atomic model. The thermodynamic properties show that the intermolecular interactions become weaker as the molecular shape becomes more nearly spherical and the surface area decreases with branching. The structural properties are well predicted from the site-site radial, the average end-to-end distance, and the root-mean-squared radius of gyration distribution func-tions. The dynamic properties are obtained from the time correlation functions - the mean square displacement (MSD), the velocity auto-correlation (VAC), the cosine (CAC), the stress (SAC), the pressure (PAC), and the heat flux auto-correlation (HFAC) functions - of liquid pentane isomers. Two self-diffusion coefficients of liquid pentane isomers calculated from the MSD's via the Einstein equation and the VAC's via the Green-Kubo relation show the same trend but do not coincide with the branching effect on self-diffusion. The rotational re-laxation time of liquid pentane isomers obtained from the CAC's decreases monotonously as branching increases. Two kinds of viscosities of liquid pentane isomers calculated from the SAC and PAC functions via the Green-Kubo relation have the same trend compared with the experimental results. The thermal conductivity calculated from the HFAC increases as branching increases.

The effects of temperature and vacancy defect on the severity of the SLGS becoming anisotropic

  • Tahouneh, Vahid;Naei, Mohammad Hasan;Mashhadi, Mahmoud Mosavi
    • Steel and Composite Structures
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    • v.29 no.5
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    • pp.647-657
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    • 2018
  • Geometric imperfections may be created during the production process or setting borders of single-layer graphene sheets (SLGSs). Vacancy defects are an instance of geometric imperfection, so investigating the effect of these vacancies on the mechanical properties of single-layer graphene is extremely important. Since very few studies have been conducted on the structure of imperfect graphene (with the vacancy defect) as an anisotropic structure, further study of this defective structure seems imperative. Due to the vacancy defects and for the proper assessment of mechanical properties, the graphene structure should be considered anisotropic in certain states. The present study investigates the effects of site and size of vacancy defects on the mechanical properties of graphene as an anisotropic structure using the lekhnitskii interaction coefficients and Molecular Dynamic approach. The effect of temperature on the severity of the SLGS becoming anisotropic is also investigated in this study. The results reveal that the amount of temperature has a big effect on the severity of the structure getting anisotropic even for a graphene without any defects. The effect of aspect ratio, temperature and also size and site of vacancy defects on the material properties of the graphene are studied in this research work. According to the present study, using material properties of flawless graphene for imperfect structure can lead to inaccurate results.

Techno-functional and rheological properties of Tenebrio molitor larvae protein by different extraction methods

  • Yeeun Kan;Insang Cho;Eunyoung Oh;Ra-Yeong Choi;Jeewon Koh;Yookyung Kim
    • International Journal of Industrial Entomology and Biomaterials
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    • v.48 no.2
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    • pp.86-97
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    • 2024
  • Alkaline- or salt-assisted extractions have been widely used to extract edible insect proteins, however, there is a need for extraction techniques that balance cost-efficient production as well as preserving the protein properties. Mealworm proteins (Tenebrio molitor larvae) were extracted using three different extraction methods-alkali (AMP), salt (SMP), and water (WMP)-and then physicochemical and techno-functional properties were examined. AMP had high yield, protein, and amino acid contents, whereas WMP had high moisture, ash, and fat contents. SDS-PAGE showed a wide range of molecular weights in WMP whereas mostly low molecular weights were observed in AMP and SMP. AMP had poor protein solubilities compared to SMP and WMP across all pHs. AMP had enhanced water-holding capacity and emulsion stability, whereas WMP had improved oil-holding capacity and foaming properties. WMP formed a gel with and without the transglutaminase. The physicochemical and techno-functional properties demonstrated that water-soluble mealworm protein was superior to alkali-and salt-soluble mealworm proteins. Considering the cost efficiency and minimal impact on the environment as well, a cold press juicer could be utilized for mass production of mealworm protein compared to the conventional methods of protein extraction using alkali and salt.

Synthesis and Characterizations of Mn1+XCo2-XO4 Solid Solution Catalysts for Highly Efficient Li/Air Secondary Battery (고효율의 리튬/공기 이차전지 공기전극용 Mn1+XCo2-XO4 고용체 촉매 합성 및 분석)

  • Park, Inyeong;Jang, Jaeyong;Lim, Dongwook;Kim, Taewoo;Shim, Sang Eun;Park, Seok Hoon;Baeck, Sung-Hyeon
    • Journal of the Korean Electrochemical Society
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    • v.18 no.4
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    • pp.137-142
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    • 2015
  • $Mn_{1+X}Co_{2-X}O_4$ solid solutions with various Mn/Co ratios were synthesized by a combustion method, and used as cathode catalysts for lithium/air secondary battery. Their electrochemical and physicochemical properties were investigated. The morphology was examined by transmission electron microscopy (TEM), and the crystallinity was confirmed by X-ray diffraction (XRD) analyses. For the measurement of electrochemical properties, charge and discharge measurements were carried out at a constant current density of $0.2mA/cm^2$, monitoring the voltage change. Electrochemical impedance spectroscopy (EIS) analyses were also employed to examine the change in charge transfer resistance during charge-discharge process. $Mn_{1+X}Co_{2-X}O_4$ solid solutions showed enhanced cycleability as a cathode of Li/air secondary battery, and the performance was found to be strongly dependent on Mn/Co ratio. Among synthesized catalysts, $Mn_{1.5}Co_{1.5}O_4$ exhibited the best performance and cycleability, due to high charge transfer rate.

TRAO-TIMES: Investigating Turbulence and Chemistry in Two Star-forming Molecular clouds

  • Yun, Hyeong-Sik;Lee, Jeong-Eun;Choi, Yunhee;Evans, Neal J. II;Offner, Stella S.R.;Baek, Giseon;Lee, Yong-Hee;Choi, Minho;Kang, Hyunwoo;Cho, Jungyeon;Lee, Seokho;Tatematsu, Ken'ichi;Heyer, Mark H.;Gaches, Brandt A.L.;Yang, Yao-Lun
    • The Bulletin of The Korean Astronomical Society
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    • v.46 no.2
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    • pp.37.2-37.2
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    • 2021
  • Turbulence produces the density and velocity fluctuations in molecular clouds, and dense regions within the density fluctuation are the birthplace of stars. Also, turbulence can produce non-thermal pressure against gravity. Thus, turbulence plays a crucial roles in controlling star formation. However, despite many years of study, the detailed relation between turbulence and star formation remain poorly understood. As part of the Taeduk Radio Astronomy Observatory (TRAO) Key Science Program (KSP), "mapping Turbulent properties In star-forming MolEcular clouds down to the Sonic scale (TIMES; PI: Jeong-Eun Lee)", we mapped two star-forming molecular clouds, the Orion A and the ρ Ophiuchus molecular clouds, in six molecular lines (13CO 1-0/C18O 1-0, HCN 1-0/HCO+ 1-0, and CS 2-1/N2H+ 1-0) using the TRAO 14-m telescope. We applied the Principal Component Analysis (PCA) to the observed data in two different ways. The first method is analyzing the variation of line intensities in velocity space to evaluate the velocity power spectrum of underlying turbulence. We investigated the relation between the star formation activities and properties of turbulence. The other method is analyzing the variation of the integrated intensities between the molecular lines to find the characteristic correlation between them. We found that the HCN, HCO+, and CS lines well correlate with each other in the integral shaped filament in the Orion A cloud, while the HCO+ line is anti-correlate with the HCN and CS lines in L1688 of the Ophiuchus cloud.

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Effect of Analytical Parameters of Gel Permeation Chromatography on Molecular Weight Measurements of Urea-Formaldehyde Resins

  • Jeong, Bora;Park, Byung-Dae
    • Journal of the Korean Wood Science and Technology
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    • v.45 no.4
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    • pp.471-481
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    • 2017
  • As the molecular weight (MW) of urea-formaldehyde (UF) resins had a great impact on their properties, this work was conducted to study effect of analytical parameters of gel permeation chromatography (GPC) on the MW measurement of UF resins. GPC parameters such as flow rate, column, detector temperature, and sample injection temperature were selected to compare number-average molecular weight (Mn), weight-average molecular weight (Mw), molecular weight distribution (MWD) and polydispersity index (PDI) of two UF resins with different viscosities. As expected, UF resin with higher viscosity resulted in greater Mn and Mw than those of low viscosity UF resin. When the flow rate increased, both Mn and Mw of UF resins decreased and MWD became narrower. By contrast, both Mn and Mw increased and MWD became wide when the column, detector, and sample injection temperature increased. The column, detector, and sample injection temperature of $50^{\circ}C$ at a flow rate of $0.5m{\ell}/min$ resulted in the highest MW and broadest MWD for the GPC analysis. These results suggest that the apparent molecular size or a hydrodynamic radius of UF resin molecules dissolved in the mobile phase affect to Mn, Mw and MWD.

Aptamers as Functional Nucleic Acids: in vitro Selection and Biotechnological Applications

  • You, Kyung-Man;Lee, Sang-Hyun;Aesul Im;Lee, Sun-Bok
    • Biotechnology and Bioprocess Engineering:BBE
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    • v.8 no.2
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    • pp.64-75
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    • 2003
  • Aptamers are functional nucleic acids that can specially bind to proteins, peptides, amino acids. nucleotides, drugs, vitamins and other organic and inorganic compounds. The aptamers are identified from random DNA or RNA libraries by a SELEX (systematic evolution of ligands by exponential amplification) process. As aptamers have the advantage, and potential ability to be released from the limitations of antibodies, they are attractive to a wide range of therapeutic and diagnostic applications. Aptamers, with a high-affinity and specificity, could fulfil molecular the recognition needs of various fields in biotechnology. In this work, we reviewed some aptamer Selection techniques, properties, medical applications of their molecules and their biotechnological applications, such as ELONA (enzyme linked oligonucleotide assay), flow cytometry, biosensors, electrophoresis, chromatography and microarrays.

The efect of freeness and paper physical properties treated with high and low molecular weight cellulase in the different surface pore sized fibers (Cellulase의 분자량과 섬유소의 표면공극 상이성이 여수도 및 종이의 강도적 특성에 미치는 영향)

  • 김병현;신종순;강영립;어영호
    • Journal of the Korean Graphic Arts Communication Society
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    • v.18 no.1
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    • pp.141-155
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    • 2000
  • To examine how the difference of molecular weight distribution of cellulase influenced the beating process according to surface pore size of the fiber, high molecular weight enzyme and low one were applied to soft wood pulp, hard wood pulp, cotton linter pulp. Some enzymes with the distribution of low molecular weight penetrated into cellulose in the proportion of surface pore size and the results were negative as like : the low viscosity, decrease of refining Yield, decrease of fine fibers content and so on. But in cotton linter pulp in the small surface area, the fiber softness was increased and it had a positive result that the paper intensity was high. Other enzymes with the distribution of high molecular weight had an enzyme reaction on the most surfaces of cellulose. They were effective in eliminating the fuzz of hydrophile fine fibers and the freeness was increased.

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