• Title/Summary/Keyword: Chemical State

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Kinetic Study of Cyclization of High-Tacticity Polyacrylonitrile Heat-Treated under Air Atmosphere via XRD (공기분위기 하에서 열처리된 고입체 규칙성 폴리아크릴로니트릴의 XRD에 의한 환화반응 속도 연구)

  • Xu, Zhi-Xian;Xu, Jing;Xu, Liang-Hua;Dai, Yong-Qiang;Xue, Li-Wei;Jin, Ri-Guang
    • Polymer(Korea)
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    • v.32 no.2
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    • pp.150-156
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    • 2008
  • Two different polyacrylonitrile samples (PANs, triad tacticity fraction is 0.25 and 0.64) were synthesized and used to study the kinetics of cyclization. Polymers were treated at different temperatures between 250 to $300^{\circ}C$ under air atmosphere, and analyzed by X-ray diffractometer. The sharp and strong peak at $2{\theta}=16.5^{\circ}$ corresponds to a lateral repeat distance that is the (100) diffraction in hexagonal lattice, while the peak at $2{\theta}=25.5^{\circ}$ reflects the (101) diffraction. In comparing their areas of different heat treated samples, the cyclization of both PANs was identified as a first-order reaction. The rate constants of cyclization reaction at different temperatures and the active energy parameter were obtained. This results might provide an important effect on pre-oxidation of polyacrylonitrile fiber.

Dielectric Relaxation in Electrooptical Switching of Nematics

  • Lavrentovich, Oleg D.;Wonderly, Hugh;Gu, Mingxia;Shiyanovskii, Sergei V.
    • 한국정보디스플레이학회:학술대회논문집
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    • 2008.10a
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    • pp.1283-1285
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    • 2008
  • We describe how the phenomenon of dielectric dispersion in nematic liquid crystals influences the director dynamics and thus the switching speed of nematic-based displays.

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Absorption of SO2 at High Temperatures by Ionic Liquids and the Absorption Mechanism

  • Tian, Shidong;Hou, Yucui;Wu, Weize;Ren, Shuhang;Qian, Jianguo
    • Bulletin of the Korean Chemical Society
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    • v.35 no.9
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    • pp.2791-2796
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    • 2014
  • The capture of $SO_2$ at or close to the temperatures of real flue gas is much more attractive in application. In this work, two kinds of ionic liquids (ILs) based on lactate anion were used to absorb $SO_2$ at high temperatures from 100 to $120^{\circ}C$. The ILs show high absorption capacities of over one mol $SO_2$ per mol IL at $110^{\circ}C$. The absorption of $SO_2$ by the ILs based on lactate anion is reversible and the ILs can be reused for the capture of $SO_2$ at high temperatures with high absorption capacity and thermal stability. Furthermore, the absorption mechanism of $SO_2$ by the ILs was studied by FT-IR, $^1H$ NMR and $^{13}C$ NMR spectra. It has been found that there are strong chemical interactions between the ILs and $SO_2$. Also the absorption mechanism is different when there is water present in ILs compared to when there is not.

Pozzolanicity identification in mortars by computational analysis of micrographs

  • Filho, Rafael G.D. Molin;Rosso, Jaciele M.;Volnistem, Eduardo A.;Vanderlei, Romel D.;Longhi, Daniel A.;de Souza, Rodrigo C.T.;Paraiso, Paulo R.;Jorge, Luiz M. de M.
    • Computers and Concrete
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    • v.27 no.2
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    • pp.175-184
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    • 2021
  • The incorporation of pozzolans to Portland cement pastes adds value in the development of new materials for the construction industry. This study presents a new computational method, complementary to the pozzolanic identification by compressive strength at 28 days method, for supporting the validation of pozzolanic mortars for non-structural purposes. An algorithm capable of classifying the pixels of micrographs of specimens fragments was developed. Therefore, comparative analyses were generated from fractional Gaussian representations in four intervals of the same amplitude that indicated the predispositions to form larger void indices (intervals 1 and 2). The results showed that the computational method indicators are in accordance with the physical and chemical indicators.

Gasoline Desulfurization by Catalytic Alkylation over Methanesulfonic Acid

  • Wu, Xiaolin;Bai, Yunpeng;Tian, Ying;Meng, Xuan;Shi, Li
    • Bulletin of the Korean Chemical Society
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    • v.34 no.10
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    • pp.3055-3058
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    • 2013
  • Methanesulfonic acid (MSA) was used as catalyst to remove trace organic sulfur (thiophene) from Fluid Catalytic Cracking gasoline (FCC) via alkylation with olefins. The reactions were conducted in Erlenmeyer flask equipped with a water-bath under atmospheric pressure. The influence of the temperature, the reaction time, and the mass ration of MSA were investigated. After a 60 min reaction time at 343 K, the thiophene conversion of 98.7% was obtained with a mass ration of MSA to oil of 10%. The catalyst was reused without a reactivation treatment, and the thiophene conversion reached 92.9% at the third time. The method represents an environmentally benign route to desulfur, because MSA could easily be separated from the reaction mixture via decantation and it could be reused.

Zeolite-catalyzed Isomerization of 1-Hexene to trans-2-Hexene: An ONIOM Study

  • Li, Yan-Feng;Zhu, Ji-Qin;Liu, Hui;He, Peng;Wang, Peng;Tian, Hui-Ping
    • Bulletin of the Korean Chemical Society
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    • v.32 no.6
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    • pp.1851-1858
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    • 2011
  • Details of the double-bond isomerization of 1-hexene over H-ZSM-5 were clarified using density functional theory. It is found that the reaction proceeds by a mechanism which involves the Br${\o}$nsted acid part of the zeolite solely. According to this mechanism, 1-hexene is first physically adsorbed on the acidic site, and then, the acidic proton transfers to one carbon atom of the double bond, while the other carbon atom of the double bond bonds with the Br${\o}$nsted host oxygen, yielding a stable alkoxy intermediate. Thereafter, the Br${\o}$nsted host oxygen abstracts a hydrogen atom from the $C_6H_{13}$ fragment and the C-O bond is broken, restoring the acidic site and yielding trans-2-hexene. The calculated activation barrier is 12.65 kcal/mol, which is in good agreement with the experimental value. These results well explain the energetic aspects during the course of double-bond isomerization and extend the understanding of the nature of the zeolite active sites.