• Title/Summary/Keyword: chemical states

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Application of Molecular Orbital Theory to Biological Chemistry (Ⅰ). Correlation between the Electronic State of Chemical Carcinogens and their Carccinogenicity (分子軌道論의 現物化學에의 應用 (第1報). 化學發癌物質의 電子狀態와 發癌性과의 相關關係)

  • Byung-Kak Park
    • Journal of the Korean Chemical Society
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    • v.24 no.3
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    • pp.225-232
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    • 1980
  • The electronic states of chemical carcinogens such as polycyclic aromatic hydrocarbons, heterocyclic compounds and dimethylaminoazobenzene (DAB) and its derivatives were examined and discussed for their carcinogenicity by means of simple Huckel method.The compounds which are 0.5 or more in the value of the sum of frontier electron density for nucleophilic reaction of the two atoms of K-region and that of the atom of L-region in the proximity of K-region were found to be agreed well with experimental results for carcinogenic activity. It is therefore suggested that both the K-region and the L-region play an important role in the formation of the molecular complex which was shown to be obtained in the combination of chemical carcinogen with cellular component in the first step of carcinogenesis.

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Study on Mechanical Properties Modification of Styrene Butadiene Rubber Composites Filling with Graphene and Molybdenum Disulfide

  • Xu, Li Xiang;Sohn, Mi Hyun;Kim, Yu Soo;Jeong, Ye Rin;Cho, Ur Ryong
    • Journal of the Semiconductor & Display Technology
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    • v.18 no.3
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    • pp.52-59
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    • 2019
  • Styrene-butadiene rubber (SBR) composites, incorporated with graphene, molybdenum disulfide and their hybrid in different filling ratio, were fabricated by a two roll-mill. The dispersion states of all the samples' matrix were employed by carbon black dispersion tester. The curing properties of the pre-vulcanized rubber composites were investigated, after molding by heating press machine, the tensile strength, storage modulus, friction coefficient, the swelling property had also been tested according to ASTM. The composite G1M10 (filling with 1 phr graphene and 10 phr molybdenum) showed the best mechanical properties and viscoelastic properties in this research with a better filler dispersion state and more compact matrix structure.

The Effect of Elementary School Teachers’ Discussion on Their Conceptual Changes Related to Three States of Matter and Analysis of Results of Classification Activities (물질의 세 가지 상태에 대한 개념 변화에 초등교사들의 토론이 미치는 영향과 분류활동 결과의 분석)

  • Choi, Jungin;Paik, Seoung-Hey
    • Journal of the Korean Chemical Society
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    • v.59 no.4
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    • pp.320-335
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    • 2015
  • The purpose of this study was to identify the concepts of elementary school teachers related to three states of matter from activities of classifying various materials in life. The subjects were 25 teachers majored in primary science education at a graduate college of education and 10 teachers of elementary school located in a metropolitan city. A questionnaire and observation related to classification activities, and interviews were carried out and analyzed them qualitatively and quantitatively. From the analysis, we found that most elementary school teachers understood the classification criteria of three states of matter through macroscopic viewpoints and experienced difficulties in determining the state of mixture materials. After discussion of the classification results, the teachers’ concept was changed. But, when performing classification activity on the basis of the newly created concepts, it has not reached its results agreed. The result of this study shows that process of concept of science has been agreed in the same way to all people is not easy. Therefore, the teacher education programs to make possible to improve the ability capable of classifying the states of the various matters and to understand the nature of classification is required. In addition, deep discussion on the classification of the mixture is also necessary.

Chimie Douce Synthesis of Chalcogen-Doped Manganese Oxides (칼코겐이 도핑된 망간 산화물의 저온합성 연구)

  • Hwang, Seong-Ju;Im, Seung-Tae;Park, Dae-Hun;Yun, Yeong-Su
    • Journal of the Korean Chemical Society
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    • v.50 no.4
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    • pp.315-320
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    • 2006
  • manganese oxides have been prepared by Chimie Douce redox reaction between permanganate and chalcogen element fine powder under acidic condition (pH = 1). According to powder X-ray diffraction analyses, the S- and Se-doped manganese oxides are crystallized with layered birnessite and tunnel-type -MnO2 structures, respectively. On the contrary, Te-doped compound was found to be X-ray amorphous. According to EDS analyses, these compounds contain chalcogen dopants with the ratio of chalcogen/manganese = 4-7%. We have investigated the chemical bonding character of these materials with X-ray absorption spectroscopic (XAS) analysis. Mn K-edge XAS results clearly demonstrated that the manganese ions are stabilized in octahedral symmetry with the mixed oxidation states of +3/+4. On the other hand, according to Se K- and Te L1-edge XAS results, selenium and tellurium elements have the high oxidation states of +6, which is surely due to the oxidation of neutral chalcogen element by the strong oxidant permanganate ion. Taking into account their crystal structures and Mn oxidation states, the obtained manganese oxides are expected to be applicable as electrode materials for lithium secondary batteries.

Brief Review on the preparation of N-doped TiO2 and Its Application to Photocatalysis (질소 도핑 티타니아의 제조와 광촉매 활용의 연구동향)

  • Oh, Kyeongseok;Hwang, Duck Kun
    • Korean Chemical Engineering Research
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    • v.57 no.3
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    • pp.331-337
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    • 2019
  • Titania has become the most applicable material for photocatalytic application. Nevertheless, titania has the weak point in its wide band gap energy that is mainly activated by UV irradiation. There have been vast research challenges in order to make the wide band gap energy of titania narrow that could be activated in the presence of visible light. Various modifications of titania surface were popular because titania needs to change its surface to respond in visible light. Among the methodological approaches, N-doping to titania can be the alternative candidate because it is facile process and eco-friendly. The activated electron from valence band in N-doped $TiO_2$ migrates to conduction band in the presence of visible light irradiation, which shows photocatalytic activity as well. In this study, focused on the evaluation of nitrogen state after N-doping through brief review. Arguments are still existed in nitrogen states and their different effects on photocatalytic activity. In particular, two nitrogen states are generally reported; substitutional and interstitial states. The research articles regarding N-doped $TiO_2$ are continuously appearing because the potential application of water split in visible light is still fascinate. The future of N-doped $TiO_2$ is also presented by referrals based on various literature.

Science High School Students' Understandings on Chemical Cells : In Relation to Chemical Equilibrium from the Microscopic Viewpoint at Molecular Level (과학고등학교 학생의 화학 전지에 대한 이해 분석: 분자적 수준의 미시적 관점에서 화학 평형과 연계하여)

  • Kim, Hyun-Jung;Hong, Hun-Gi
    • Journal of the Korean Chemical Society
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    • v.56 no.6
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    • pp.731-738
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    • 2012
  • The purpose of this study is to analyze the understandings of science high school students on the conception of chemical cell in relation to chemical equilibrium from the microscopic viewpoint at molecular level through questionnaires and follow-up interviews. The results show that they have high understandings on the chemical equilibrium states in the electrochemical cell and on the redox reaction taking place simultaneously when a metal electrode is immersed in the metal ion solution. However, they do not fully comprehend the development of electrical potential difference, electron movement, electrode potential measurement in the half-cells, and calculation of the net cell voltage between anode and cathode in the chemical cell because of difficulties in the microscopic understanding the interaction on the interface at the electrode and the electrolyte solution.

Existing test data for the Act on Registration & Evaluation, etc. of Chemical Substances

  • Choi, Bong-In;Ryu, Byung-Taek;Na, Suk-Hyun;Chung, Seon-Yong
    • Environmental Analysis Health and Toxicology
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    • v.30
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    • pp.17.1-17.6
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    • 2015
  • Objectives In this study, the possibility of using existing test data provided in Korea and elsewhere for the registration of chemical substances was examined. Data on 510 chemical substances that are among the first subject to registration under the "Act on the Registration and Evaluation, etc. of Chemical Substances (K-REACH)" were analyzed. Methods The possibility of using existing data from 16 reference databases was examined for 510 chemical substances notified in July 2015 as being subject to registration. Results Test data with the reliability required for the registration of chemical substances under the K-REACH constituted 48.4% of the required physicochemical characteristics, 6.5% of the required health hazards, and 9.4% of the required environmental hazards. Conclusions Some existing test data were not within the scope of this research, including data used for registration in the European Union (EU). Thus, considering that 350 of these 510 species are registered in EU Registration, Evaluation, Authorisation & Restriction of Chemicals, more test data may exist that can be utilized in addition to the data identified in this study. Furthermore, the K-REACH states that non-testing data (test results predicted through Read Across, Quantitative Structure-Activity Relationships) and the weight of evidence (test results predicted based on test data with low reliability) can also be utilized for registration data. Therefore, if methods for using such data were actively reviewed, it would be possible to reduce the cost of securing test data required for the registration of chemical substances.

The Direction for Development of Domestic Initial Response System for Chemical Terrorism (국내 화학테러 초기대응체제의 발전방향 (한·미 화학테러 초기대응체제 비교를 중심으로))

  • Eun, Chong-hwa
    • Journal of the Society of Disaster Information
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    • v.5 no.2
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    • pp.50-73
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    • 2009
  • This paper is about the establishment of "Initial Response System." Initial response system is most important and should be treated urgently among all preparations for chemical terrorism. The objects of Initial response system are to protect civilians and the first responder who are exposed directly to chemical terrorism. Therefore, this paper suggests two main issues about Initial response system. One is to prepare immediate and exact information service system which assures the safety and survival of exposed people. The other is to build Scene Response System integrated with Command-Control Procedure for early finished situation. Compared to United States, overcoming the Chemical Terrorism requires to improve the contents of two categories: Counter Citizen Response part and Initial Scene Response part. For Counter citizen response part' s sake, the web-sites of Response leader agencies for searching information about chemical terrorism should be modified specifically. These web-sites have to be re-organized in detail. The existing Information service system which has been vaguely informed as "CBRNE Accident" needs to be divided as "CBRNE Accident" and "WMD terrorism." Further, each of them should be specialized in "Chemical', "Biological", and "Radiological" categories. There is a need to rearrange current Emergency Instruction for civilians against chemical terrorism in feasible way. At the same time, it should be applied consistently to all organizations through agreement between experts and related-organizations. For Initial Scene Response part's sake, "Initial scene response procedure (SOP)" and "Operational conception" should be produced through Simulated Exercises and workshops of all organizations related with initial response. These organizations have to cooperate with Ministry of Environment which is the main leader Agency as the center. Next, there is a need to develop a technology and Scene Response Equipments, and to standardize the response equipments which consider the capability of First Responders for chemical terrorism. Especially, improving capability of equipments is required to overcome the vulnerability of Scene Response Equipments.

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Recent Advances in the Mechanistic Studies of Alkylaromatic Conversions over Zeolite Catalysts (제올라이트 촉매상에서의 알킬 방향족 화합물 전환 반응기구에 대한 최근 연구 동향)

  • Min, Hyung-Ki;Hong, Suk Bong
    • Korean Chemical Engineering Research
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    • v.51 no.1
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    • pp.1-9
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    • 2013
  • The transformation of alkylaromatic hydrocarbons using zeolite catalysts play big part in the current petrochemical industry. Here we review recent advances in the understanding of the reaction mechanisms of various alkylaromatic conversions with respect to the structural and physicochemical properties of zeolite catalysts employed. Indeed, the shape-selective nature of zeolite catalysts determines the type of reaction intermediates and hence the prevailing reaction mechanism together with the product distribution. The prospect of zeolite catalysis in the developement of more efficient petrochemical processes is also described.

Optimal Learning Control Combined with Quality Inferential Control for Batch and Semi-batch Processes

  • Chin, In-Sik;Lee, Kwang-Soon;Park, Jinhoon;Lee, Jay H.
    • 제어로봇시스템학회:학술대회논문집
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    • 1999.10a
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    • pp.57-60
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    • 1999
  • An optimal control technique designed for simultaneous tracking and quality control for batch processes. The proposed technique is designed by transforming quadratic-criterion based iterative learning control(Q-ILC) into linear quadratic control problem. For real-time quality inferential control, the quality is modeled by linear combination of control input around target qualify and then the relationship between quality and control input can be transformed into time-varying linear state space model. With this state space model, the real-time quality inferential control can be incorporated to LQ control Problem. As a consequence, both the quality variable as well as other controlled variables can progressively reduce their control error as the batch number increases while rejecting real-time disturbances, and finally reach the best achievable states dictated by a quadratic criterion even in case that there is significant model error Also the computational burden is much reduced since the most computation is calculated in off-line. The Proposed control technique is applied to a semi-batch reactor model where series-parallelreactions take place.

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