• Title/Summary/Keyword: chemical defense

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Thermodynamic Prediction of TaC CVD Process in TaCl5-C3-H6-H2 System (TaCl5-C3-H6-H2 계에서 TaC CVD 공정의 열역학 해석)

  • Kim, Hyun-Mi;Choi, Kyoon;Shim, Kwang-Bo;Cho, Nam-Choon;Park, Jong-Kyoo
    • Korean Journal of Materials Research
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    • v.28 no.2
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    • pp.75-81
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    • 2018
  • An ultra-high temperature ceramic, tantalum carbide, has received much attention for its favorable characteristics: a superior melting point and chemical compatibility with carbon and other carbides. One drawback is the high temperature erosion of carbon/carbon (C/C) composites. To address this drawback, we deposited TaC on C/C with silicon carbide as an intermediate layer. Prior to the TaC deposition, the $TaCl_5-C_3H_6-H_2$ system was thermodynamically analyzed with FactSage 6.2 and compared with the $TaCl_5-CH_4-H_2$ system. The results confirmed that the $TaCl_5-C_3H_6-H_2$ system had a more realistic cost and deposition efficiency than $TaCl_5-CH_4-H_2$. A dense and uniform TaC layer was successfully deposited under conditions of Ta/C = 0.5, $1200^{\circ}C$ and 100 torr. This study verified that the thermodynamic analysis is appropriate as a guide and prerequisite for carbide deposition.

Effects of Isothermal Stabilization Process and Ultrasonic Cleaning on the Characteristics of Rayon Fabrics (레이온직물의 특성에 미치는 등온 안정화공정 및 초음파세척의 영향)

  • Cho, Chaewook;Cho, Donghwan;Park, Jong Kyoo;Lee, Jae Yeol
    • Journal of Adhesion and Interface
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    • v.14 no.1
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    • pp.21-27
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    • 2013
  • Cellulose-based rayon fibers or fabrics can be thermally decomposed very fast within a narrow temperature window during stabilization process. Therefore the stabilization stage is critically important for producing rayon-based carbon fibers. Consequently, in the present study the effects of isothermal stabilization and ultrasonic cleaning on the weight loss, chemical composition, microstructure, and fabric texture of cellulose-based rayon fabrics were explored. The temperature of the isothermal stabilization process performed in the range of $200{\sim}240^{\circ}C$ influenced the processing time, carbon and oxygen contents, cellulose structural change, and fabric texture. The ultrasonic cleaning, which was conducted prior to the stabilization process, played a role in shortening the stabilization time, increasing the carbon contents, decreasing the oxygen contents, and changing the XRD pattern. Also, it was considered that the ultrasonic cleaning contributed to retarding the weight loss, to reducing the thermal shrinkage, and further to reducing the fast physical change of rayon fabrics.

Theoretical Studies on the Cationic Polymerization Mechanism of Cyclic Acetals (산 촉매하의 Cyclic Acetals 공중합반응에 관한 분자궤도론적 연구)

  • Young-Gu Cheun;Jae-Kyung Kim
    • Journal of the Korean Chemical Society
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    • v.36 no.2
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    • pp.197-204
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    • 1992
  • The cationic polymerization of cyclic acetals are investigated theoretically using the semiempirical MINDO/3, MNDO, and $AM_1$, methods. The nucleophilicity and basicity of cyclic acetals can be explained by the negative charge on oxygen atom of cyclic acetals. The reactivity of propagation in the polymerization of cyclic acetals can be represented by the positive charge on $C_2$ atom and the low LUMO energy of active species of cyclic acetals. The reactivity of 2-buthyl-1,3-dioxepane(2-Bu-DOP) of cyclic oxonium and opening carbenium ion form is expected computational stability of the oxonium ion by 5${\sim}$7kcal/mole favoring the carbenium ion. Owing to the rapid equilibrium of these cation forms and the reaction coordinate based on calculation that the reaction coordinate based on calculation that the chain growth $S_N1$ mechanism will be at least as fast as that for $S_N2$ mechanism.

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Promoting Effect of AlCl_3 on the Fe-catalyzed Dimerization of Bicyclo[2.2.1]hepta-2,5-diene

  • Nguyen, Mai Dao;Nguyen, Ly Vinh;Lee, Je-Seung;Han, Jeong-Sik;Jeong, Byung-Hun;Cheong, Min-Serk;Kim, Hoon-Sik;Kang, Ho-Jung
    • Bulletin of the Korean Chemical Society
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    • v.29 no.7
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    • pp.1364-1368
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    • 2008
  • The activity of the catalytic system composed of Fe$(acetylacetonate)_3$ (Fe$(acac)_3$), triphenylphosphine, and diethylaluminum chloride for the dimerization of bicyclo[2.2.1]hepta-2,5-diene (2,5-norbornadiene, NBD) to produce hexacyclic endo-endo dimer (hexacyclo[$7.2.1.0^{2,8}.1^{3,7}.1^{5,13}.0^{4,6}$]tetradec-10-ene, Hnn) was significantly enhanced by the presence of $AlCl_3$, especially at the molar ratios of NBD/Fe$(acac)_3$ of 500. XPS analysis of the catalytic systems clearly demonstrates that $AlCl_3$ facilitates the reduction of Fe$(acac)_3$ to form active species, Fe(II) and Fe(0) species. The layer separation was observed when [BMIm]Cl was used along with $AlCl_3$, but catalyst recycle was not very successful.

Protection of Metal Stress in Saccharomyces cerevisiae: Cadmium Tolerance Requies the Presence if Two ATP-Binding Domains of Hsp 104 Protein

  • Lee, Gyeong Hui;Eom, Jeong Hun
    • Bulletin of the Korean Chemical Society
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    • v.22 no.5
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    • pp.514-518
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    • 2001
  • We have explored the importance of two ATP binding domains of Hsp104 protein in protection of yeast cells from cadmium exposure. In the previous study we have discovered that the presence of two ATP binding sites was essential in providing heat sh ock protection as well as rescuing cells from oxidative stress. In this paper we first report wild type cell with functional hsp104 gene is more resistant to cadmium stress than hsp104-deleted mutant cell, judging from decrease in survival rates as a result of cadmium exposure. In order to demonstrate functional role of two ATP binding sites in cadmium defense, we have transformed both wild type (SP1) and hyperactivated ras mutant (IR2.5) strains with several plasmids differing in the presence of ATP binding sites. When an extra copy of functional hsp104 gene with both ATP binding sites was overexpressed with GPD-promoter, cells showed increased survival rate against cadmium stress than mutants with ATP binding sites changed. The degree of protection in the presence of two ATP binding sites was similarly observed in ira2-deleted hyperactivated ras mutant, which was more sensitive to oxidative stress than wild type cell. We have concluded that the greater sensitivity to cadmium stress in the absence of two ATP binding sites is attributed to the higher concentration of reactive oxygen species (ROS) produced by cadmium exposure based on the fluorescence tests. These findings, taken all together, imply that the mechanism by which cadmium put forth toxic effects may be closely associated with the oxidative stress, which is regulated independently of the Ras-cAMP pathway. Our study provides a better understanding of cadmium defense itself and cross-talks between oxidative stress and metal stress, which can be applied to control human diseases due to similar toxic environments.

Effect of additional heat-treatment temperature on chemical, microstructural, mechanical, and electrical properties of commercial PAN-based carbon fibers

  • Cho, Dong-Hwan;Yoon, Sung-Bong;Cho, Chae-Wook;Park, Jong-Kyoo
    • Carbon letters
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    • v.12 no.4
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    • pp.223-228
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    • 2011
  • In this present work, the effect of additional heat-treatment (AHT) in the range from $1800^{\circ}C$ to $2400^{\circ}C$ on the chemical composition, morphology, microstructure, tensile properties, electrical resistivity, and thermal stability of commercial polyacrylonitrile (PAN)-based carbon fibers was explored by means of elemental analysis, electron microscopy, X-ray diffraction analysis, single fiber tensile testing, two-probe electrical resistivity testing, and thermogravimetric analysis (TGA). The characterization results were in agreement with each other. The results clearly demonstrated that AHTs up to $2400^{\circ}C$ played a significant role in further contributing not only to the enhancement of carbon content, fiber morphology, and tensile modulus, but also to the reduction of fiber diameter, inter-graphene layer distance, and electrical resistivity of "as-received" carbon fibers without AHT. The present study suggests that key properties of commercial PAN-based carbon fibers of an intermediate grade can be further improved by proprietarily adding heat-treatment without applying tension in a batch process.

A Study on Processes and Performance Evaluation for IR Camouflage Printed Selectively Permeable Membrane Fabrics (위장 날염된 선택 투과성 화생방 직물의 제조 공정연구 및 성능평가)

  • Jeong, Yong-Kyun;Moon, Sang-Hyun;Kang, Jae Sung;Seo, Hyeon Kwan;Park, Hyen Bae
    • Textile Coloration and Finishing
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    • v.26 no.1
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    • pp.13-21
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    • 2014
  • The object of this research is to perform the basic research for the development of selectively permeable membrane fabrics which is suitable for korean military in sense of embattlement. As a key factor of selectively permeable membrane fabrics which is suitable for korean military, this study selected the best PVA thickness and membrane selection for DMMP protection, pre-treatment method for conformational stability of face fabric and water/oil repellent process condition. Especially as the PVA coating thickness of the fabrics increase, peneration of DMMP decrease including water vapor permeation is lower. This study shows how physical features and permeability of chemical agents can be influenced by pre-treatment methods, the selection of selectively permeable membrane, the thickness of PVA etc. Results showed that outer shell / PVA / e-PTFE materials possessed performance with superior water vapor permeation (Over $3,000g/m^2/day$) and protective capability against DMMP vapor ($0.6{\mu}g/cm^2{\cdot}16hr$).

Prediction of Physicochemical Properties of Organic Molecules Using Semi-Empirical Methods

  • Kim, Chan Kyung;Cho, Soo Gyeong;Kim, Chang Kon;Kim, Mi-Ri;Lee, Hai Whang
    • Bulletin of the Korean Chemical Society
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    • v.34 no.4
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    • pp.1043-1046
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    • 2013
  • Prediction of physicochemical properties of organic molecules is an important process in chemistry and chemical engineering. The MSEP approach developed in our lab calculates the molecular surface electrostatic potential (ESP) on van der Waals (vdW) surfaces of molecules. This approach includes geometry optimization and frequency calculation using hybrid density functional theory, B3LYP, at the 6-31G(d) basis set to find minima on the potential energy surface, and is known to give satisfactory QSPR results for various properties of organic molecules. However, this MSEP method is not applicable to screen large database because geometry optimization and frequency calculation require considerable computing time. To develop a fast but yet reliable approach, we have re-examined our previous work on organic molecules using two semi-empirical methods, AM1 and PM3. This new approach can be an efficient protocol in designing new molecules with improved properties.

Ignition Transient Investigation of Rocket Motor

  • Chang, Suk-Tae;Sam M. Han;John C. Chai
    • Journal of the Korean Society of Propulsion Engineers
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    • v.4 no.3
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    • pp.45-54
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    • 2000
  • Ignition transient is a. very rapid process lasting only in the order of 100 milliseconds and therefore it is difficult to measure all relevant ballistic properties. Numerical simulation is thus useful to quantify some of these hard to measure flow and ballistic properties. One-dimensional model was employed to study the effects of aging using simplified aging scenarios for both N-H sustainer and booster motors. Also the effects of newly designed igniter on the ignition of N-H sustainer was simulated. Radiation effects could be significant in terms of energy flux increase to the propellant surface and the energy exchange between the combustion gas itself. One dimension implementation of radiation showed significant effects for rear-mounted igniter. Implementation of radiation effects into 2-D axi-symmetric numerical model was completed and its effects on the N-H sustainer were examined. To have a reliable prediction of computer model on ignition transient, accurate chemical property data on the propellant and igniter gas are required. It was found that such property data on aged N-H motors are not available. Chemical aging model can be used to predict to some degree of accuracy effects of aging on chemical and mechanical properties. Such a model was developed, albeit 2-dimensional, to study migration of moisture through a representative solid rocket motor configuration.

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Atmospheric chemical vapor deposition of graphene on molybdenum foil at different growth temperatures

  • Naghdi, Samira;Rhee, Kyong Yop;Kim, Man Tae;Jaleh, Babak;Park, Soo Jin
    • Carbon letters
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    • v.18
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    • pp.37-42
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    • 2016
  • Graphene was grown on molybdenum (Mo) foil by a chemical vapor deposition method at different growth temperatures (1000℃, 1100℃, and 1200℃). The properties of graphene were investigated by X-ray diffraction (XRD), X-ray photoelectron spectroscopy, and Raman spectroscopy. The results showed that the quality of the deposited graphene layer was affected by the growth temperature. XRD results showed the presence of a carbide phase on the Mo surface; the presence of carbide was more intense at 1200℃. Additionally, a higher I2D/IG ratio (0.418) was observed at 1200℃, which implies that there are fewer graphene layers at this temperature. The lowest ID/IG ratio (0.908) for the graphene layers was obtained at 1200℃, suggesting that graphene had fewer defects at this temperature. The size of the graphene domains was also calculated. We found that by increasing the growth temperature, the graphene domain size also increased.