• Title/Summary/Keyword: Reaction Kinetics Model

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Experimental and Kinetic Studies of Esterification of Glycerol Using Combustion Synthesized SO42-/CeO2-Al2O3

  • Veluturla, Sravanthi;Narula, Archna;Rao, D. Subba;Indraja., S;Kulkarni, Rajeswari. M.
    • Korean Chemical Engineering Research
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    • v.56 no.4
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    • pp.592-599
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    • 2018
  • An increase in the global production of biodiesel has resulted in the newfound significance of its byproduct, glycerol. The synthesis of acetins is an economical avenue to enhance the value of glycerol derived from biodiesel. WE developed an eco-friendly process for the synthesis of fuel additives from glycerol using a mixed oxide $SO{_4}^{2-}/CeO_2-Al_2O_3$ as catalyst. The $CeO_2-Al_2O_3$ mixed oxide was synthesized by the combustion method and then sulfated. The characterization of the catalyst was by means of XRD, BET, FTIR, and SEM. The influence of temperature, mole ratio and catalyst loading on yield and selectivity of the acetins was studied for the esterification of glycerol. The reaction rate constants ($k_1$, $k_2$ and $k_3$) were estimated using optimization method in MAT lab, and the activation energies ($E_1$, $E_2$ and $E_3$) were determined by the Arrhenius equation. Furthermore, a kinetic model was developed.

Optimum Reaction Kinetics Model of Heat-resistant and Flame-Retardant Polymethyl Methacrylate (내열 및 난연성 Polymethyl Methacrylate의 최적 반응속도 모델에 관한 연구)

  • Kim, Dong-Keun;Seul, Soo-Duk;Sohn, Jin-Eon
    • Elastomers and Composites
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    • v.22 no.4
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    • pp.324-332
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    • 1987
  • The thermal degradation of the homopolymer poly(methyl methacrylate) (PMMA) and flame-retardant tetrabrormobisphenol-A(TBBA) as well as of their blends were carried out using the thermogravimetric method in the stream of nitrogen gas with 60ml/min at various heating rate from 1 to $20^{\circ}C/min$. Friedman and Ozawa mathematical methods were used to obtain the value of activation energy.

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Etching characteristics and modeling of BST thin films using inductively coupled plasma (유도결합 플라즈마를 이용한 BST 박막의 식각 특성 및 모델링)

  • Kim, Gwan-Ha;Kim, Kyoung-Tae;Kim, Dong-Pyo;Lee, Cheol-In;Kim, Tae-Hyung;Kim, Chang-Il
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2004.11a
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    • pp.29-32
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    • 2004
  • This work was devoted to an investigation of etching mechanisms for $(Ba,Sr)TiO_3$ (BST) thin films in inductively coupled $CF_4/Ar$ plasma. We have found that an increase of the Ar content in $CF_4/Ar$ plasma causes non-monotonic behavior of BST etch rate, which reaches a maximum value of 40 nm/min at 80% Ar. Langmuir probe measurements show a weak sensitivity of both electron temperature and electron density to the change of $CF_5/Ar$ mixing ratio. O-D model for plasma chemistry gave monotonic changes of both volume densities and fluxes for active species responsible for the etching process. The analysis of surface kinetics confirms the possibility of non-monotonic etch rate behavior due to the concurrence of physical and chemical pathways in ion-assisted chemical reaction.

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Removal of Arsenic(V) from Aqueous Solutions by Using Natural Minerals

  • Mohapatra Debasish;Mishra Debaraj;Chaudhury G. Roy;Das R.P.;Park, Kyung-Ho
    • Resources Recycling
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    • v.15 no.5 s.73
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    • pp.38-46
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    • 2006
  • The removal of arsenic(V) using four different natural minerals were evaluated. Parameters like contact time, pH, adsorbent dosages, and As(V) concentration were optimized. The kinetics of adsorption was observed to be fast and reached equilibrium within 2h. As(V) adsorption on studied minerals was dependent on pH and followed a pseudo-second-order reaction model. For kaolin, maximum adsorption was found at pH 5.0. Whereas, in case of other three minerals, a pH range of 6.0-7.0 was found to be the best for As(V) adsorption. The maximum adsorption capacity (Q) was calculated by fitting Langmuir equation to the adsorption isotherms obtained under a specified condition. From the slope of best fit, the Q values were calculated to be 2.07, 2.15, 1.95 and 0.86 mg As(V)/g of bauxite, wad, iron ore and kaolin, respectively. Desorption of As(V) from loaded materials was dependent on the type of leaching reagents used. Based on the results, it was found that among the studied natural minerals, wad was the best As(V) adsorbent.

Drug Release from Thermo-Responsive Self-assembled Polymeric Micelles Composed of Cholic Acid and Poly(N-isopropylacrylamide)

  • Kim, In-Sook;Jeong, Young-Il;Lee, Yun-Ho;Kim, Sung-Ho
    • Archives of Pharmacal Research
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    • v.23 no.4
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    • pp.367-373
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    • 2000
  • Cholic acid, conjugated with amine-terminated poly(W-isopropylacrylamide) (abbreviated as CA/ATPNIPAAm), was synthesized by a N, N'-dicyclohexyl carbodiimide (DCC)-mediated coupling reaction. Self-assembled CA/ATPNIPAAm micelles were prepared by a diafiltration method in aqueous media. The CA/ATPNIPAAm micelles exhibited a lower critical solution temperature (LCST) at $31.5^{\circ}C$. Micelle sizes measured by photon correlation spectroscopy (PCS) were approximately 31.6 $\times$$\times$ 5.8 nm. The CA/ATPNIPAAm micelles were spherical and their thermal size transition was observed by transmission electron microscope (TEM). A fluorescence probe technique was used for determining the micelle formation behavior of CA/ATPNIPAAm in aqueous solutions using Pyrene as a hydrophobic Probe. The critical micelle concentration (CMC) was evaluated as $8.9{\times}0^{-2}$ g/L. A drug release study was performed using indomethacin (IN) as a hydrophobic model drug. The release kinetics of IN from the CA/ATPNIPAAm micelles revealed a thermo-sensitivity by the unique character of poly(N-isopropylacrylamide) i.e. the release rate was higher at $25^{\circ}C$ than at $37^{\circ}C$.

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Three-Dimensional Numerical Analysis for Detonation Propagating in Circular Tube

  • Sugiyama, Yuta;Matsuo, Akiko
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2008.03a
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    • pp.364-370
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    • 2008
  • Spinning detonations propagating in a circular tube were numerically investigated with a one-step irreversible reaction model governed by Arrhenius kinetics. The time evolution of the simulation results was utilized to reveal the propagation mechanism of single-headed spinning detonation. The track angle of soot record on the tube wall was numerically reproduced with various levels of activation energy, and the simulated unique angle was the same as that of the previous reports. The maximum pressure histories of the shock front on the tube wall showed stable and unstable pitch modes for the lower and higher activation energies, respectively. The shock front shapes and the pressure profiles on the tube wall clarified the mechanisms of two modes. The maximum pressure history in the stable pitch remained nearly constant, and the single Mach leg existing on the shock front rotated at a constant speed. The high and low frequency pressure oscillations appeared in the unstable pitch due to the generation and decay of complex Mach interaction on the shock front shape. The high frequency oscillation was self-induced because the intensity of the transverse wave was changed during propagation in one cycle. The high frequency behavior was not always the same for each cycle, and therefore the low frequency oscillation was also induced in the pressure history.

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Adsorptive and kinetic studies of toxic metal ions from contaminated water by functionalized silica

  • Kumar, Rajesh;Verma, Sunita;Harwani, Geeta;Patidar, Deepesh;Mishra, Sanjit
    • Membrane and Water Treatment
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    • v.13 no.5
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    • pp.227-233
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    • 2022
  • The objective of the study, to develop adsorbent based purifier for removal of radiological and nuclear contaminants from contaminated water. In this regard, 3-aminopropyl silica functionalized with ethylenediamine tetraacetic acid (APS-EDTA) adsorbent prepared and characterized by Fourier Transform Infrared Spectroscopy (FT-IR), Scanning Electron Microscopy (SEM) and X-ray Diffraction (XRD). Prepared APS-EDTA used for adsorptive studies of Cs(I), Co(II), Sr(II), Ni(II) and Cd(II) from contaminated water. The effect on adsorption of various parameters viz. contact time, initial concentration of metal ions and pH were also analyzed. The batch method has been employed using metal ions in solution from 1000-10000 ㎍/L, contact time 5-60 min., pH 4-10 and material quantities 50-200 mg at room temperature. The obtained adsorption data were used for drawing Freundlich and Langmuir isotherms model and both models were found suitable for explaining the metal ions adsorption on APS-EDTA. The adsorption data were followed pseudo second order reaction kinetics. The maximum adsorption capacity obtained 1.3037-1.4974 mg/g for above said metal ions. The results show that APS-EDTA have great potential to remove Cd(II), Co(II), Cs(I), Ni(II) and Sr(II) from aqueous solutions through chemisorption and physio-sorption.

A Study on Kinetic Model for the Formation of 5-methyl-4-imidazolecarboxylic Acid Ester (5-methyl-4-imidazolecarboxylic Acid Ester 연속합성의 반응속도론 및 특성 연구)

  • Cho, Wook-Sang;Park, Sang-Jin;Kim, Hak-Hee
    • Applied Chemistry for Engineering
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    • v.5 no.6
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    • pp.1062-1067
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    • 1994
  • The chemistry of 5-methyl-4-imidazolecarboxylic acid ester synthesis involves three distinct reaction steps. Of these the rate of formation of diketone was found to be a function of oxime and HCl concentration and temperature by the batch experiment. The decomposition of diketone was found to be a slow process whereas temperature was the only variable to affect it significantly. An empirical rate expression for the net formation of diketone fits the experminetal data satisfactorily. The principal objectives of this study are to study the kinetics of the diketone formation reaction and to develop the empirical rate expression.

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A Kinetic Study of Thermal-Oxidative Decomposition of Waste Polyurethane (폐폴리우레탄의 열적 산화분해에 대한 속도론적 연구)

  • Jun, Hyun Chul;Oh, Sea Cheon;Lee, Hae Pyeong;Kim, Hee Taik
    • Applied Chemistry for Engineering
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    • v.17 no.3
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    • pp.296-302
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    • 2006
  • The kinetics of the thermal-oxidative decomposition of waste polyurethane (PU) according to oxygen concentration has been studied using a non-isothermal thermogravimetric technique at several heating rates from 10 to $50^{\circ}C/min$. A kinetic model accounting for the effects of the oxygen concentration by the differential and integral method based on Arrhenius equation was proposed to describe the thermal-oxidative decomposition of waste PU. To obtain the information on the kinetic parameters such as activation energy, reaction order, and pre-exponential factor, the thermogravimetric analysis curves and its derivatives have been analyzed using the kinetic analysis method proposed in this work. From this work, it was found that reaction orders for oxygen concentration had a negative sign, and activation energy decreased as the oxygen concentration increased. It was also found that the kinetic parameters obtained from the integral method using the single heating rate experiments varied with heating rates. Therefore, it is thought that the differential method using the multiple heating rate experiments more effectively represents the thermal-oxidative decomposition of waste polyurethane.

Equilibrium, Kinetic and Thermodynamic Parameter Studies on Adsorption of Acid Black 1 Using Coconut Shell-Based Granular Activated Carbon (야자각계 입상 활성탄의 Acid Black 1 염료 흡착에 대한 평형, 동역학 및 열역학 파라미터의 연구)

  • Lee, Dong-Chang;Lee, Jong-Jib
    • Applied Chemistry for Engineering
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    • v.27 no.6
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    • pp.590-598
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    • 2016
  • In this study, the adsorption behavior from aqueous solution as well as kinetic and thermodynamic parameters of Acid Black 1 were investigated through batch reaction using coconut shell based granular steam activated carbon. The effects of various adsorption parameters such as pH, initial concentration, contact time, temperature were studied. To confirm the effect of pH, pHpzc measurements were analyzed followed by measuring removal efficiencies of Acid Black 1 at the pH range from 3 to 11. Experimental equilibrium adsorption data were fitted using Langmuir, Freundlich, Temkin and Dubinin-Radushkevich adsorption isotherm. The conformity of adsorption reaction for pseudo first and second order model were evaluated through kinetic analysis. Values of enthalpy change and activation energy were also investigated through thermodynamic analysis and it was confirmed that the adsorption process was endothermic. The spontaneity of adsorption process was evaluated using the values of entropy and Gibbs free energy changes.