• Title/Summary/Keyword: Theoretical chemistry

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Effect of curing conditions on mode-II debonding between FRP and concrete: A prediction model

  • Jiao, Pengcheng;Soleimani, Sepehr;Xu, Quan;Cai, Lulu;Wang, Yuanhong
    • Computers and Concrete
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    • v.20 no.6
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    • pp.635-643
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    • 2017
  • The rehabilitation and strengthening of concrete structures using Fiber-Reinforced Polymer (FRP) materials have been widely investigated. As a priority issue, however, the effect of curing conditions on the bonding behavior between FRP and concrete structures is still elusive. This study aims at developing a prediction model to accurately capture the mode-II interfacial debonding between FRP strips and concrete under different curing conditions. Single shear debonding experiments were conducted on FRP-concrete samples with respect to different curing time t and temperatures T. The J-integral formulation and constrained least square minimization are carried out to calibrate the parameters, i.e., the maximum slip $\bar{s}$ and stretch factor n. The prediction model is developed based on the cohesive model and Arrhenius relationship. The experimental data are then analyzed using the proposed model to predict the debonding between FRP and concrete, i.e., the interfacial shear stress-slip relationship. A Finite Element (FE) model is developed to validate the theoretical predictions. Satisfactory agreements are obtained. The prediction model can be used to accurately capture the bonding performance of FRP-concrete structures.

A Proposal for the Education Vision for Chemical Engineering Field (화학공학분야 교육비전 수립 연구)

  • Lee, Kyu-nyo;Hwang, Ju-young;Yi, Kwang-bok;Han, Su-kyoung;Rhee, Young-woo
    • Journal of Engineering Education Research
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    • v.21 no.6
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    • pp.99-107
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    • 2018
  • The purpose of this study is to establish and propose educational vision of chemical engineering field in order to search for academic identity and future education direction in chemical engineering field. In order to achieve this research purpose, we investigate the literature and data on the vision, educational goals, and curriculum of the department of chemical engineering in domestic and foreign universities. We also analyze the SWOT of internal and external environmental factors respectively. The validity of the proposal was verified through delphi survey with delphi panels and the vision was developed by revising and improving upon the opinions of professionals. The vision is comprised of the value and mission of learning, the educational purpose, and the educational goal. The first stage is value and mission of chemical engineering. The educational purposes and the educational goals are divided into 'Department of Chemical Engineering' and 'Department of Chemical and Biological Engineering'. The application of the educational vision of chemical engineering field is as follows. First, we expect that the vision to be a valuable, philosophical, and theoretical basis for establishing educational objectives and goals in the field of chemical engineering. Hopefully, it will be used as a general education goal for the top-level education. Second, we hope that the vision will be used to develop customized vision, customized educational purpose, and educational goals that reflect the characteristics of region, departments, graduates, and educational needs in the field of chemical engineering. Finally, we hope that these results will be the starting point to discuss the educational vision in the department of chemical engineering.

Short-range magnetic order in La1-xBaxCoO3 cobaltites

  • Long, Phan The;Petrov, Dimitar N.;Cwik, J.;Dang, N.T.;Dongquoc, Viet
    • Current Applied Physics
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    • v.18 no.11
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    • pp.1248-1254
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    • 2018
  • Magnetization versus temperature and magnetic-field measurements, M(T, $H_a$), have been carried out to study the magnetic and critical properties of polycrystalline $La_{1-x}Ba_xCoO_3$ (x = 0.3 and 0.5) cobaltites. These compounds with the density of ${\sim}6.2g/cm^3$ crystallized in the $R{\bar{3}}c$ rhombohedral and $Pm{\bar{3}}m$ cubic structures, respectively. With an applied field $H_a=200Oe$, M(T) data have revealed that the samples with x = 0.3 and 0.5 exhibit the ferromagnetic-paramagnetic (FM-PM) phase transition at the Curie temperature points $T_C=202$ and 157 K, respectively. At 4.2 K, the saturation magnetization ($M_{sat}$) decreases from 35.9 emu/g for x = 0.3-26.1 emu/g for x = 0.5. Particularly, the critical-behavior analyses in the vicinity of $T_C$ reveal all samples undergoing a second-order phase transition, with critical exponent values (${\beta}=0.328$ and ${\gamma}=1.251$ for x = 0.3, and ${\beta}=0.331$ and ${\gamma}=1.246$ for x = 0.5) close to those expected for the 3D Ising model. This proves short-range magnetic order existing in $La_{1-x}Ba_xCoO_3$. We believe that magnetic inhomogeneities due to the mixture of hole-rich FM regions (confined in the trivalent-cobalt hole-poor anti-FM matrix) and uniaxial anisotropy prevent long-range order in $La_{1-x}Ba_xCoO_3$.

Probing the Conditions for the Atomic-to-Molecular Transition in the Interstellar Medium

  • Park, Gyueun;Lee, Min-Young
    • The Bulletin of The Korean Astronomical Society
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    • v.46 no.1
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    • pp.50.2-51
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    • 2021
  • Stars form exclusively in cold and dense molecular clouds. To fully understand star formation processes, it is hence a key to investigate how molecular clouds form out of the surrounding diffuse atomic gas. With an aim of shedding light in the process of the atomic-to-molecular transition in the interstellar medium, we analyze Arecibo HI emission and absorption spectral pairs along with TRAO/PMO 12CO(1-0) emission spectra toward 58 lines of sight probing in and around molecular clouds in the solar neighborhood, i.e., Perseus, Taurus, and California. 12CO(1-0) is detected from 19 out of 58 lines of sight, and we report the physical properties of HI (e.g., central velocity, spin temperature, and column density) in the vicinity of CO. Our preliminary results show that the velocity difference between the cold HI (Cold Neutral Medium or CNM) and CO (median ~ 0.7 km/s) is on average more than a factor of two smaller than the velocity difference between the warm HI (Warm Neutral Medium or WNM) and CO (median ~ 1.7 km/s). In addition, we find that the CNM tends to become colder (median spin temperature ~ 43 K) and abundant (median CNM fraction ~ 0.55) as it gets closer to CO. These results hints at the evolution of the CNM in the vicinity of CO, implying a close association between the CNM and molecular gas. Finally, in order to examine the role of HI in the formation of molecular gas, we compare the observed CNM properties to the theoretical model by Bialy & Sternberg (2016), where the HI column density for the HI-to-H2 transition point is predicted as a function of density, metallicity, and UV radiation field. Our comparison shows that while the model reproduces the observations reasonably well on average, the observed CNM components with high column densities are much denser than the model prediction. Several sources of this discrepancy, e.g., missing physical and chemical ingredients in the model such as the multi-phase ISM, non-equilibrium chemistry, and turbulence, will be discussed.

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X-ray/gamma radiation shielding properties of Aluminium-Bariume-Zinc Oxide nanoparticles synthesized via low temperature solution combustion method

  • K.V. Sathish;K.N. Sridhar;L. Seenappa;H.C. Manjunatha;Y.S. Vidya;B. Chinnappa Reddy;S. Manjunatha;A.N. Santhosh;R. Munirathnam;Alfred Cecil Raj;P.S. Damodara Gupta;B.M. Sankarshan
    • Nuclear Engineering and Technology
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    • v.55 no.5
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    • pp.1519-1526
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    • 2023
  • For the first time Aluminium-BariumeZinc oxide nanocomposite (ZABONC) was synthesized by solution combustion method where calcination was carried out at low temperatures (600℃) to study the electromagnetic (EM) (X/γ) radiation shielding properties. Further for characterization purpose standard techniques like PXRD, SEM, UV-VISIBLE, FTIR were used to find phase purity, functional groups, surface morphology, and to do structural analysis and energy band gap determination. The PXRD pattern shows (hkl) planes corresponding to spinel cubic phase of ZnAl2O4, cubic Ba(NO3)2, α and γ phase of Al2O3 which clearly confirms the formation of complex nano composite. From SEM histogram mean size of nano particles was calculated and is in the order of 17 nm. Wood and Tauc's relation direct energy band gap calculation gives energy gap of 2.9 eV. In addition, EM (X/γ) shielding properties were measured and compared with the theoretical ones using standard procedures (NaI (Tl) detector and multi channel analyzer MCA). For energy above 356 keV the measured shielding parameters agree well with the theory, while below this value slight deviation is observed, due to the influence of atomic/crystallite size of the ZABONC. Hence synthesized ZABONC can be used as a shielding material in EM (X/γ) radiation shielding.

Persistence and Degradation Pattern of Acequinocyl and Its Metabolite, Hydroxyl-Acequinocyl and Fenpyroximate in Butterburs (Petasites japonicus Max.)

  • Leesun Kim;Geun-Hyoung Choi;Hyun Ho Noh;Hee-Dong Lee;Hak-won Lee;Kee Sung Kyung;Jin-Ho Ro
    • Korean Journal of Environmental Agriculture
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    • v.42 no.2
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    • pp.93-103
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    • 2023
  • Persistence and degradation patterns of acequinocyl and its metabolite, hydroxyl-acequinocyl (acequinocyl-OH) and fenpyroximate in butterburs (Petasites japonicus Max.) were investigated after pesticide application. Butterburs, one of the minor crops in South Korea, was planted in two plots (plot A for double and plot B for single application) in a greenhouse. Butterburs samples were also planted in a separate plot without pesticide treatment, as the control. A commercial pesticide containing acequinocyl and fenpyroximate was applied to the foliage of butterburs at hourly intervals after dilution. Recoveries of acequinocyl and acequinocyl-OH were 78.6-84.7% and 83.7-95.5%, respectively; the relative standard deviation of the two compounds were less than 5%. The method limit of quantification was 0.01 mg/kg. The total (Ʃ) acequinocyl residues in butterburs reduced by 96.0% at 14 days and 75.9% at 7 days, in plot A and B, respectively, after final pesticide applications. The biological half-life (DT50) of Ʃ acequinocyl and fenpyroximate, calculated using the dissipation rate, was 3.0 days and 4.0 days, respectively. These data were used to set up maximum residue and safe standard levels when the pesticides are applied to control pests during butterbur cultivation. Risk assessment results showed that the maximum % acceptable daily intake was 7.74% for Ʃ acequinocyl and 0.16% for Ʃ fenpyroximate. The theoretical maximum daily intake of Ʃ acequinocyl and fenpyroximate was 26.3% and 35.8%, respectively. In conclusion, the concentrations of Ʃ acequinocyl and fenpyroximate in butterburs pose no significant health risks to Koreans.

Theoretical Study on Structural Properties of Triptan Derivatives (트립탄 유도체의 구조적 특성에 관한 이론적 연구)

  • Chul Jae Lee;Ki Young Nam
    • The Journal of the Convergence on Culture Technology
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    • v.9 no.4
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    • pp.503-508
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    • 2023
  • Tryptane derivatives are substances that treat acute migraines, and many studies have been conducted on analysis methods such as chromatography, electrochemistry, spectroscopy, and capillary electrophysiology. Recently, analytical chemists have become more interested in drug analysis and solving fundamental problems of biological importance. Therefore, in this study, the chemical properties of each derivative were investigated by calculating the total energy, band gap, electrostatic potential, and charge of Sumatriptan, Lizatriptan, Naratriptan, and Eletriptan using HyperChem8.0's semi-empirical PM3 method. As a result of this study, in the case of Sumatriptan, Naratriptan, and Eletriptan, chemical reactions are expected to proceed centering on oxygen and nitrogen atoms bonded to sulfur atoms. In addition, in the case of Rizatriptan without a sulfur atom, it was shown that the chemical reaction proceeds at the 17th and 19th nitrogens of the 5-membered heterocyclic compound.

Growth Mode of Tungsten Thin Film by Using Si$H_4$ Reduction of W$F_6$ in LPCVD System (저압 화학 기상 증착 조건에서 Si$H_4$, W$F_6$ 환원 반응에 의한 텅스텐 박막의 성장 양식)

  • Kim, Sung Hoon
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.3 no.2
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    • pp.107-116
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    • 1993
  • Tungsten thin film was deposited on Si( 100) substrate by either Si substrate reduction of W$F_6$( case 1) or Si$H_4$ reduction of W$F_6$( case 2) in LPCVD system The morphology and properties of deposited films for both cases were examined. The crystal structure for both cases was determined to be bec (body centered cubic). The amount of tungsten and the grain size in thin films were increased as the film grows. From the experimental results and theoretical considerations, it can be understood that the tungsten thin film grows by the volmer-weber growth mode, that is, island growth. The detailed tungsten thin film growth mode is presented. It was also found that the initial polycrystal structure of tungsten thin film developed into single crystal structure as the film grew in thickness.

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The effect of zinc, iron and manganese content on gamma shielding properties of magnesium-based alloys produced using the powder metallurgy

  • Mesut Ramazan Ekici;Emre Tabar;Gamze Hosgor;Emrah Bulut ;Ahmet Atasoy
    • Nuclear Engineering and Technology
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    • v.56 no.9
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    • pp.3872-3883
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    • 2024
  • This study investigates the effects of Zinc (Zn), Manganese (Mn), and Iron (Fe) additions on the microstructure, corrosion behaviour, biocompatibility, mechanical, and gamma-ray shielding properties of Magnesium (Mg) alloys prepared in various compositions using powder metallurgy (PM). The microstructure and mechanical properties of these alloys were analyzed using electron microscopes (SEM and FE-SEM) and X-ray diffraction (XRD) methods. The results showed positive changes in the material's structure when the percentage of zinc added to pure magnesium increased. It was observed that the material became ductile, and the ductile fracture increased when the zinc ratio increased. The gamma-ray shielding properties of newly produced Mg-based alloys have also been discussed since they have a high potential for use in space technologies. Radiation shielding measurements have been performed using a 3" × 3" NaI(Tl) scintillation detector NaI (Tl) gamma-ray spectrometer. The gamma-ray shielding parameters such as the linear attenuation coefficients (μl), mass attenuation coefficient (μm), effective atomic number (Zeff), half-value layer (HVL), and tenth-value layer (TVL) have been determined experimentally at photon energies of 0.511 MeV (emitted from a22Na radioactive point source) and 1.173 MeV and 1.332 MeV (emitting from a60Co radioactive point source). The obtained parameters have been compared to the theoretical results of the XCOM software, and a satisfactory agreement has been found. It can be said from the results that the Mg30Zn alloy has the best shielding properties among the produced materials.

Study on Optimization of Liquid Fermentation Medium and Antitumor Activity of the Mycelium on Phyllopora lonicerae

  • Min Liu;Lu Liu;Guoli Zhang;Guangyuan Wang;Ranran Hou;Yinghao Zhang;Xuemei Tian
    • Journal of Microbiology and Biotechnology
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    • v.34 no.9
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    • pp.1898-1911
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    • 2024
  • Phylloporia lonicerae is an annual fungus that specifically parasitizes living Lonicera plants, offering significant potential for developing new resource food and medicine. However, wild resources and mycelium production of this fungus is limited, and its anti-tumor active ingredients and mechanisms remain unclear, hampering the development of this fungus. Thus, we optimized the fermentation medium of P. lonicerae and studied the anti-tumor activity of its mycelium. The results indicated that the optimum fermentation medium consisted of 2% sucrose, 0.2% peptone, 0.1% KH2PO4, 0.05% MgSO4·7H2O, 0.16% Lonicera japonica petals, 0.18% P fungal elicitor, and 0.21% L. japonica stem. The biomass reached 7.82 ± 0.41 g/l after 15 days of cultivation in the optimized medium, a 142% increase compared with the potato dextrose broth medium, with a 64% reduction in cultivation time. The intracellular alcohol extract had a higher inhibitory effect on A549 and Eca-109 cells than the intracellular water extract, with half-maximal inhibitory concentration values of 2.42 and 2.92 mg/ml, respectively. Graded extraction of the alcohol extract yielded petroleum ether phase, chloroform phase, ethyl acetate phase, and n-butanol phase. Among them, the petroleum ether phase exhibited a better effect than the positive control, with a half-maximal inhibitory concentration of 113.3 ㎍/ml. Flow cytometry analysis indicated that petroleum ether components could induce apoptosis of Eca-109 cells, suggesting that this extracted component can be utilized as an anticancer agent in functional foods. This study offers valuable technical support and a theoretical foundation for promoting the comprehensive development and efficient utilization of P. lonicerae.