• Polymer(Korea)
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• v.26 no.4
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• pp.422-430
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• 2002

The kinetics of polycondensation of bishydroxyethyl naphthalate has been studied in the range of 241 -$260^{\circ}C$ using antimony trioxide catalyst. The reaction was performed in a batch reactor and the concentration of reaction mixture was measured with HPLC. The activation energy values of forward and reverse reaction determined from molecular species model were found to be 19.7 and 31.4 kcal/mole, respectively, and the equilibrium constants were in the range of 1.4-2.0, which were larger than that of polycondensation of PET and varied to some degree with temperature. It was confirmed by applying the Flory's distribution function that the reaction rate of the hyroxyethyl group does not depend on the molecular size. By applying functional group model, we observed that there was few difference between the activation energy of the forward reaction and that of reverse reaction, therefore the equilibrium constant has almost constant value of 1.4. The rate constants obtained from functional group model was about 3-4 times larger than that from molecular species model, which showed that both model explains the reaction system well. Although the molecular species model should predict the concentration of as many as ten molecules, it fits for the experimental results well.

• Fibers and Polymers
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• v.2 no.2
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• pp.86-91
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• 2001

Liquid crystalline (LC) poly(ethylene terephthalate-co-2(3)-chloro-1,4-phenylene terephthalate) [copoly(ET/CPT)] was prepared using poly(ethylene terephthalate) (PET) as a flexible spacer, terephthalic acid (TPA), and chlorohydroquinone diacetate (CHQDA). All reactions involved in the copolymerization were investigated using some model compounds: TAP was used for acidolysis, diphenylethyl terephthalate (DPET) for interchange reaction between PET chains, and 야-o-chlorophenyl terephthalate (DOCT) and di-m-chlorophenyl terephthalate (DMCT) for interchange reaction between PET and rigid rodlike segments. Activation energies obtained for the acidolysis of PET with TPA and for interchange reaction of PET with DPET, DOCT, and DMCT were 19.8 kcal/mol, 26.5 kcal/mole, and 45.9 kcal/mole, respectively. This result supports that the copolymerization proceeds through the acidolysis of PET with TPA first and subsequent polycondensation between carboxyl end group and CHQDA or acetyl end group, which is formed from the reaction of CHQDA and TPA. Also, it was found that ester-interchange reaction can be influenced by the steric hindrance. Copoly(ET/CPT)s obtained has ethylene acetate end groups formed from acetic acid hydroxy ethylene end groups and showed almost the random sequence distribution for all compositions.

• Journal of Environmental Science International
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• v.16 no.5
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• pp.641-647
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• 2007

The phase transfer catalysis(PTC) reagent, ethyl tri-octyl ammonium bromide(ETABr), strongly catalyzes the reaction of p-nitrophenyi diphenyl phosphinate(p-NPDPIN) with benzimidazole(BI) and its anion($BI^{\theta}$). In ETABr solutions, the dephosphorylation reactions exhibit higher first order kinetics with respect to the nucleophile, BI, and ETABr, suggesting that reactions are occuring in small aggregates of the three species including the sub-strate(p-NPDPIN), whereas the reaction of p-NPDPIN with $OH^{\theta}$ is not catalyzed by ETABr. This behavior for the drastic rate-enhancement of the dephosphorylation is referred as 'aggregation complex model' for reaction of hydrophobic organic phosphinates with benzimidazole(BI) in hydrophobic quarternary ammonium salt(ETABr) solutions.

• Food Engineering Progress
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• v.15 no.3
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• pp.214-220
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• 2011

$\beta$-Glucosidase enzyme reaction under high hydrostatic pressure was investigated in terms of physical chemistry. A model substrate (p-nitrophenyl-${\beta}$-D-glucopyranoside(pNPG)) was used, and the pressure effects on the enzymatic hydrolysis (pNPG${\rightarrow}$pNP) at 25 MPa, 50 MPa, 75 MPa, and 100 MPa were analyzed. Two parts of the reaction such as kinetic and equilibrium stages were considered for mathematical modelling, and their physicochemical parameters such as forward and inverse reaction constants, equilibrium constant, volume change by pressure, etc. were mathematically modeled. The product concentration increased with pressure, and the two stages of reaction were observed. Prediction models were derived to numerically compute the product concentrations according to reaction time over kinetic to equilibrium stages under high pressure condition. Conclusively, the $\beta$-Glucosidase enzyme reaction could be activated by pressurization within 100 MPa, and the developed models were very successful in their prediction.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2006.11a
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• pp.150-153
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• 2006

Gas generator should be adopted either fuel rich or oxidizer rich combustion because of the temperature restriction to avoid any possible thermal damages to turbine blade. This study focuses to model the non-equilibrium chemical reaction of kerosene/LOx with detailed kinetics developed by Dagaut using Perfectly stirred reactor(PSR) assumption. To predict more reliable species fraction and other gas properties, Frenklach's soot model was added to Dagaut's detailed kinetics.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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• 2004.09a
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• pp.219-222
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• 2004

Removal characteristics of Mn and Co was studied from the contaminated solutions via surface reaction with various calcium carbonate (calcite). Synthetic calcium carbonates which has different surface morphology as well as surface areas were prepared by a spontaneous precipitation method and used. Mn and Co removal behavior by the different solid surface demonstrate characteristic sorption behaviors depend on the type of calcite used, such as surface area or surface morphology. Calcium carbonate crystals (mostly calcite) which exhibit complicated surface morphology (c-type) shows strong sorption affinity for Mn and Co removal via sorption than on the a-type or b-type calcite crystals of less complicated surfaces. The applicability of two kinetic models, the pseudo-first-order kinetic equation and the Elovich kinetic model was examined on these sorption behavior. Elovich kinetic model was found more suitable to explain the very early stage adsorption kinetics, while the pseudo-first-order kinetic equation was successfully fitted for the adsorption kinetics after 50 hours.

• Environmental Engineering Research
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• v.9 no.5
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• pp.238-247
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• 2004

The objective of this study was to develop kinetic model for the MBR and investigate kinetic characteristics of the gravitational flow transverse direction MBR system. Kinetic model was derived by mass balance of substratc and biomass combined with empirical membranc filtration rerm for the MBR. To find kinctic values, permeale flux and COD removal were analyzed through the laboratory, MBR operation as different solids retention times. Permeate flux was ranged 2.5-5.0 LMH (L/m$^2$/hr) as sludge characteristics in each run. Although the soluble COD in the bioreactor was changed, the effluent COD was stable as average 99% removal rate during the experimental periods. Y$_g$ of this MBR system was higher than those of cross-flow MBR processes. The kinetics of this MBR showed that smaller k, larger b, and larger K$_s$ values than the conventional activated sludge process. These results indicated that substrate was used for cell maintenance rather than growth in this MBR system.

• Korean Journal of Materials Research
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• v.29 no.7
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• pp.412-424
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• 2019

Global fitting functions for Fe-selective chlorination in ilmenite($FeTiO_2$) and successive chlorination of beneficiated $TiO_2$ are proposed and validated based on a comparison with experimental data collected from the literature. The Fe-selective chlorination reaction is expressed by the unreacted shrinking core model, which covers the diffusion-controlling step of chlorinated Fe gas that escapes through porous materials of beneficiated $TiO_2$ formed by Fe-selective chlorination, and the chemical reaction-controlling step of the surface reaction of unreacted solid ilmenite. The fitting function is applied for both chemical controlling steps of the unreacted shrinking core model. The validation shows that our fitting function is quite effective to fit with experimental data by minimum and maximum values of determination coefficients of $R^2$ as low as 0.9698 and 0.9988, respectively, for operating parameters such as temperature, $Cl_2$ pressure, carbon ratio and particle size that change comprehensively. The global fitting functions proposed in this study are expressed simply as exponential functions of chlorination rate(X) vs. time(t), and each of them are validated by a single equation for various reaction conditions. There is therefore a certain practical merit for the optimal process design and performance analysis for field engineers of chlorination reactions of ilmenite and $TiO_2$.

• Journal of Digital Convergence
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• v.19 no.6
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• pp.113-132
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• 2021

This study is a new evaluation using the Arrhenius equation, which is known as the chemical reaction rate estimation equation, to evaluate the intrinsic and extrinsic value elements of patents as a model. The performance of the evaluation model was superior to the SVM, Logistic reg. and ANN models that were used as patent evaluation models in prior studies. In addition, there was a strong correlation between the predicted lifespan of the patent and the actual lifespan of the patent. These evaluation models may be used for evaluation purposes only, or if an evaluation is required, including a commercialization entity or technical characteristics.

• Korean Chemical Engineering Research
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• v.46 no.2
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• pp.301-309
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• 2008

In this study, the effect of formaldehyde to phenol (F/P) molar ratios, catalyst wt%, and reaction temperature on the chemical structure was studied utilizing a two-level full factorial experimental design. The effect of three variables on the chemical structure was analyzed by using three-way ANOVA of SPSS. Concentration of methyrol-substituted phenols after 300 min addition reaction increased with higher the F/P mole ratio, lower the reaction temperature and lower the catalyst wt%. Resol catalysed by barium hydroxide showed higher addition of formaldehyde onto ortho positions of phenolic rings. A simplified elementary reaction model for resole type phenolic resin formation which do not consider the dissociation of phenolic compounds and the fraction of formaldehyde in the form of methylene glycol was proposed and compared with Zavitsas' type models. Elementary reaction model showed error of 2.79% compared to the error of 3.27% in Zavitsas' type models. It was thought that the elementary reaction model could be used to predict the behavior of addition reaction in resol formation.