• Title/Summary/Keyword: Ionic liquid model

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Effects of Structural Difference of Ionic Liquids on the Catalysis of Horseradish Peroxidase

  • Hong, Eun-Sik;Park, Jung-Hee;Yoo, Ik-Keun;Ryu, Keun-Garp
    • Journal of Microbiology and Biotechnology
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    • v.19 no.7
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    • pp.713-717
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    • 2009
  • The dependence of the catalytic properties of horseradish peroxidase on the structural changes of ionic liquids was investigated with two water-miscible ionic liquids, N-butyl-3methypyridinium tetraftuoroborate ([$BMP_y$][$BF_4$]) and 1-butyl-3-methylimidazolium methylsulfate ([BMIM][$MeSO_4$]), each of which shares an anion ($BF_4^-$) or a cation ($BMIM^+$) with 1-butyl-3-methylimidazolium tetraftuoroborate ([BMIM][$BF_4$]), respectively. The oxidation of guaiacol (2-methoxyphenol) with $H_2O_2$was used as a model reaction. In order to minimize the effect of solution viscosity on the kinetic constants of the enzymatic catalysis, the enzymatic reactions for the kinetic study were performed in water-ionic liquid mixtures containing 25% (v/v) ionic liquid at maximum. Similarly to the previously reported results for [BMIM][$BF_4$], as the concentration of [$BMP_y$][$BF_4$] increased, the $K_m$value increased with a decrease in the $k_{cat}$value: the $K_m$value increased markedly from 2.8 mM in 100% water to 12.6 mM in 25% (v/v) ionic liquid, indicating that ionic liquid significantly weakens the binding affinity of guaiacol to the enzyme. On the contrary, [BMIM][$MeSO_4$] decreased the Km value to 1.4 mM in 25% (v/v) ionic liquid. [BMIM][$MeSO_4$] also decreased $k_{cat}$more than 3-folds [from 13.8 $s^{-1}$in 100% water to 4.1 $s^{-1}$in 25% (v/v) ionic liquid]. These results indicate that the ionic liquids interact with the enzyme at the molecular level as well as at a macroscopic thermodynamic scale. Specifically, the anionic component of the ionic liquids influenced the catalysis of horseradish peroxidase in different ways.

Prediction of Reaction Performance of Isobutane Alkylation Using Ionic Liquid (이온성액체를 이용한 이소부탄 알킬레이션 반응성능에 대한 예측)

  • Kim, Soo Jung;Yoo, Kye Sang
    • Applied Chemistry for Engineering
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    • v.26 no.3
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    • pp.347-350
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    • 2015
  • In this study, ionic liquids have been employed as a green catalyst in the alkylation of isobutane with 2-butene. One of acid ionic liquids, 1-octyl-3-methylimidazolium-bromide-aluminum chloride, was used in the reaction. Effects of the liquid hourly space velocity (LHSV), reaction temperature and composition of ionic liquids on the reaction performance were investigated in order to optimize reaction conditions. Under identical reaction conditions, the optimum reaction temperature was $80^{\circ}C$ and the ionic liquid with the anion composition of 0.56 showed an excellent reaction activity. Moreover, a correlation model was developed with a statistical approach to predict the product yields.

Deep Desulfurization of Fuels by Heteropolyanion-Based Ionic Liquid

  • Li, Jinlei;Hu, Bing;Hu, Chuanqun
    • Bulletin of the Korean Chemical Society
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    • v.34 no.1
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    • pp.225-230
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    • 2013
  • A new heteropolyanion-based ionic ($[Hmim]_5PMo_{10}V_2O_{40}$) was synthesized by the reaction of molybdovanadophosphoric acid ($H_5PMo_{10}O_{40}$) with N-methylimidazole. [$[Hmim]_5PMo_{10}V_2O_{40}$ showed a high catalytic activity in the oxidative desulfurization of sulfur-containing compounds in 1-methylimidazolium tetrafluoroborate ($[Hmim]BF_4$) ionic liquid using 30% aqueous $H_2O_2$ as the oxidant. The catalytic system was of high activity, simplified workup and flexible recyclability. The catalytic oxidation reactivity of sulfur-containing compounds decreased in the order dibenzothiophene (DBT) > 4,6-dimethyldibenzothiophene (4,6-DMDBT) > benzothiophene (BT). The influences of various parameters including reaction time (t) and temperature (T), catalyst dosage, and oxidant to sulfur molar ratio n(O)/n(S) on the desulfurization of model oil were investigated in details. 99.1% of DBT conversion in the model oil was achieved at atmospheric pressure under the optimal conditions: n(O)/n(S) = 4:1, $60^{\circ}C$, 100 min and molar ratio of catalyst to sulfur of 0.062. The ionic liquid can be recycled six times without significant decrease in activity.

Thermodynamic Assessment of the $ZrO_2-TiO_2$ System

  • Park, Jeong-Ho;Ping Liang;Seifert, Hans-Jurgen;Fritz Aldinger;Koo, Bon-Keup;Kim, Ho-Gi
    • The Korean Journal of Ceramics
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    • v.7 no.1
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    • pp.11-15
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    • 2001
  • A thermodynamic assessment for the ZrO$_2$-TiO$_2$ system has been conducted. An optimal thermodynamic data set for this system is evaluated by the CALPHAD(CALculation of PHAse Diagram) method applied to experimental phase diagram and thermodynamic data. The liquid is described by ionic liquid model with two sublattices. The solubilities of the solid phases, tetragonal ZrO$_2$ and TiO$_2$(rutile), were described by subregular substitutional model with one sublattice. Two compounds, ZrTiO$_4$ and ZrTi$_2$O$_6$, are modeled as stoichiometric compounds.

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Ionic polymer-metal composite as energy harvesters

  • Tiwari, Rashi;Kim, Kwang J.;Kim, Sang-Mun
    • Smart Structures and Systems
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    • v.4 no.5
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    • pp.549-563
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    • 2008
  • The ability of an electroactive polymer, IPMC (Ionic Polymer Metal Composites,) to produce electric charge under mechanical deformations may be exploited for the development of next generation of energy harvesters. Two different electrode types (gold and platinum) were employed for the experiments. The sample was tested under dynamic conditions, produced through programmed shaking. In order to evaluate the potential of IPMC for dry condition, these samples were treated with ionic liquid. Three modes of mechanical deformations (bending, tension and shear) were analyzed. Experimental results clearly indicate that IPMCs are attractive applicants for energy harvesting, with inherent advantages like flexibility, low cost, negligible maintenance and virtually infinite longevity. Besides, preliminary energy harvesting model of IPMC has been formulated based upon the work of previous investigators (Newbury 2002, Newbury and Leo 2002, Lee, et al. 2005, Konyo, et al. 2004) and the simulation results reciprocate experimental results within acceptable error.

Studies of Lithium Diffusivity of Silicon-Based Film Electrodes for Rechargeable Lithium Batteries

  • Nguyen, Cao Cuong;Song, Seung-Wan
    • Journal of Electrochemical Science and Technology
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    • v.4 no.3
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    • pp.108-112
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    • 2013
  • Lithium diffusivity of the silicon (Si)-based materials of Si-Cu and $SiO_x$ (x = 0.4, 0.85) with improved interfacial stability to electrolyte have been determined, using variable rate cyclic voltammetry with film model electrodes. Lithium diffusivity is found to depend on the intrinsic properties of anode material and electrolyte; the fraction of oxygen for $SiO_x$ (x = 0.4, 0.85), which is directly related to electrical conductivity, and the electrolyte type with different ionic conductivity and viscosity, carbonate-based liquid electrolyte or ionic liquid-based electrolyte, affect the lithium diffusivity.

A Kinetic Study on the Synthesis of Dimethylcarbonate by Using Immobilized Ionic Liquid Catalyst (고정화된 이온성 액체 촉매를 이용한 디메틸카보네이트 합성 반응에 대한 속도론적 고찰)

  • Kim, Dong-Woo;Kim, Dong-Kyu;Kim, Cheol-Woong;Koh, Jae-Cheon;Park, DaeWon
    • Korean Chemical Engineering Research
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    • v.48 no.3
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    • pp.332-336
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    • 2010
  • Ionic liquid immobilized on mesoporous amorphous silica was prepared from the coupling of 1-(triethoxysilylpropyl)-3-n-alkyl-imidzolium halides with tetraethyl orthosilicate(TEOS) through template-free condensation under strong acidic conditions. The immobilized 1-n-butyl-3-methyl imidazolium bromide ionic liquid on amorphous silica(BMImBr-AS) was proved to be an effective heterogeneous catalyst for the synthesis of dimethyl carbonate(DMC) from transesterification of ethylene carbonate(EC) with methanol. High temperature, high carbon dioxide pressure and long reaction time were favorable for the reactivity of BMImBr-AS. Kinetic studies based on two step reactions revealed that the proposed reaction model fitted well the experimental data. The apparent activation energy was estimated to be 67.4 kJ/mol.

Thermodynamic Assessment of the PbO-ZrO2 System

  • Koo, Bon-Keup;Ping Liang;Hans Jiirgen Seifert;Fritz Aldinger
    • The Korean Journal of Ceramics
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    • v.5 no.3
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    • pp.205-210
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    • 1999
  • The thermodynamic properties and phase diagram of the$ PbO-ZrO_2$ system have been critically assessed using the Thermo-Calc program. Excess Gibbs energies were expressed by Redlich-Kister polynomials for the solid phases, by the two-sublattice ionic liquid model for the liquid phase and by the compound energy model for the solid solution phase. All solid phases were treated as stoichimetric compounds.

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Development of New Processes for the Decommissioning Decontamination and for Treatment and Disposal of the Secondary Low- and Intermediate-Level Radioactive Waste

  • John, Jan;Bartl, Pavel;Cubova, Katerina;Nemec, Mojmir;Semelova, Miroslava;Sebesta, Ferdinand;Sobova, Tereza;Sul'akova, Jana;Vetesnik, Ales;Vopalka, Dusan
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.19 no.1
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    • pp.9-27
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    • 2021
  • As an example of research activities in decontamination for decommissioning, new data are presented on the options for corrosion layer dissolution during the decommissioning decontamination, or persulfate regeneration for decontamination solutions re-use. For the management of spent decontamination solutions, new method based on solvent extraction of radionuclides into ionic liquid followed by electrodeposition of the radionuclides has been developed. Fields of applications of composite inorganic-organic absorbers or solid extractants with polyacrylonitrile (PAN) binding matrix for the treatment of liquid radioactive waste are reviewed; a method for americium separation from the boric acid containing NPP evaporator concentrates based on the TODGA-PAN material is discussed in more detail. Performance of a model of radionuclide transport, developed and implemented within the GoldSim programming environment, for the safety studies of the LLW/ILW repository is demonstrated on the specific case of the Richard repository (Czech Republic). Continuation and even broadening of these activities are expected in connection with the approaching end of the lifespan of the first blocks of the Czech NPPs.

Application of Screening Technology for Capture of Hydrogen Sulfide Using Ionic Liquids (이온성 액체의 황화수소의 포집을 위한 스크리닝 기법의 활용)

  • Han, Sangil;Lee, Bong-Seop
    • Journal of Industrial Technology
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    • v.39 no.1
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    • pp.41-45
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    • 2019
  • Hydrogen sulfide ($H_2S$) is mainly produced along with methane and hydrocarbons in many gas fields as well as hydrodesulfurization processes of crude oils containing sulfur compounds and the emission of $H_2S$ has a considerable effect on both environmental problem and human health aspects due to formation of, e.g. acid rain and smog. In recent years, ionic liquids (ILs) have been proposed as the most promising solvents for $CO_2$ and hazardous pollutants capture, such as $H_2S$ and sulfur dioxide ($SO_2$). In this work, we demonstrate the use of the predictive COSMO-SAC model for the prediction of Henry's law constant of $H_2S$ in ILs. Furthermore, the method is used to screen for potential IL candidates for $H_2S$ capture from a set of 2,624 ILs formed from 82 cations and 32 anions. The effects of cation on the Henry's law constant of $H_2S$ such as (i) the variation of the alkyl chain length on cation, (ii) the substituent of methyl group ($-CH_3$) for H in C(2) position and (iii) the change of ring structure for cation family are clearly predicted by COSMO-SAC model.