• Bulletin of the Korean Chemical Society
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• v.30 no.12
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• pp.2973-2978
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• 2009

The decomposition reaction mechanism of $CH_3CF_2O$ radical formed from hydroflurocarbon, $CH_3CHF_2$ (HFC-152a) in the atmosphere has been investigated using ab-initio quantum mechanical methods. The geometries of the reactant, products and transition states involved in the decomposition pathways have been optimized and characterized at DFT-B3LYP and MP2 levels of theories using 6-311++G(d,p) basis set. Calculations have been carried out to observe the effect of basis sets on the optimized geometries of species involved. Single point energy calculations have been performed at QCISD(T) and CCSD(T) level of theories. Out of the two prominent decomposition channels considered viz., C-C bond scission and F-elimination, C-C bond scission is found to be the dominant path involving a barrier height of 12.3 kcal/mol whereas the F-elimination path involves that of a 28.0 kcal/mol. Using transition-state theory, rate constant for the most dominant decomposition pathway viz., C-C bond scission is calculated at 298 K and found to be 1.3 ${\times}$ 10$^4s{-1}$. Transition states are searched on the potential energy surfaces involving both decomposition channels and each of the transition states are characterized. The existence of transition states on the corresponding potential energy surface are ascertained by performing Intrinsic Reaction Coordinate (IRC) calculation.

• Korean Chemical Engineering Research
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• v.40 no.6
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• pp.709-714
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• 2002

To investigate the decomposition kinetics of poly(ethylene terephthalate) the high pressure molten-polymer injector has been devised. Using the experimental apparatus equipped with batch reactor and high pressure molten-polymer injector the decomposition of PET has been performed at constant pressure of 250 bar and 300, 320, $340^{\circ}C$, respectively. At each temperature conditions the conversions after initial 1 minute have shown very high values such as 76-90%. As the temperature increases the conversion reaches more than 98% at 10 minutes. Based on the second order reaction model the reaction rate constants have been obtained. We can calculate the conversions within 2% errors utilizing optimized rate constants. The activation energy for the decomposition of PET at subcritical conditions has shown to be 54.4 kJ/mol.

• Textile Coloration and Finishing
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• v.14 no.4
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• pp.214-222
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• 2002

In order to give a silk-like touch to PET fabrics, the PET fabrics were treated with NaOH alkaline solution in various conditions. In alkaline treatment, the liquor flow type pilot weight reduction apparatus with magnetostrictive ultrasonic transducer was used for the study. The weight loss of PET fabrics hydrolyzed in 4% and 6% NaOH solution, at $95^\circ{C}$ and $99^\circ{C}$ for 60min. with ultrasonic application showed 3.7~4.6% higher than that of treated fabric without ultrasonic application. From the difference of specific weight loss, the treatment condition of the maximum of hydrolyzation effect appeared at $95^\circ{C}$ in $4^\circ{C}$ and at $90^\circ{C}$ in 6% NaOH solution, respectively. During the alkali hydrolysis of PET fabrics, the decomposition rate constant(k) increased exponentially with the treatment temperature and were not related with ultrasonic cavitation. The activation energy$(E_a)$ in decomposition of PET fabrics were 21.06kcal/mol with ultrasonic application and 21.10kcal/mol without ultrasonic application. The ultrasonic application gave a little higher value of the activation entropy$(\Delta{S}^\neq)$ and a little lower value of Gibbs free energy$(\Delta{S}^\neq)$ compared with not used ultrasonic apparatus.

• Asian Journal of Turfgrass Science
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• v.9 no.2
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• pp.109-117
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• 1995

An investigation was performed to reveal the relation of the production and decomposition of the Zoysia japoni ica and Miscanthus sinensis litters on Mt.Kwanak. The decay constant k of litters was as follows; k of Zoysia japonica, k=0.44, k of Miscanthus sicensis, k=0.33 The time required for the decomposition of half of the accumulated organic matter of Zoysia japonice and Miscanthus sinensis was 1.6 and 2.1 years, respectively. The amount of mineral nutrients returned annually to soil is faster in the ZQvsia japonica grassland than in the Miscanthus sinensis grassland on Mt. Kwanak. Key words: Organic rnatter synthesis, Decomposition balance.

• Korean Journal of Computational Design and Engineering
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• v.12 no.4
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• pp.245-254
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• 2007

This research proposed feature extraction algorithms as an input of STEP Ap214 data, and feature parameterization process to simplify further design change and maintenance. The procedure starts with suppression of blend faces of an input solid model to generate its simplified model, where both constant and variable-radius blends are considered. Most existing cell decomposition algorithms utilize concave edges, and they usually require complex procedures and computing time in recomposing the cells. The proposed algorithm using reference features, however, was found to be more efficient through testing with a few sample cases. In addition, the algorithm is able to recognize depression features, which is another strong point compared to the existing cell decomposition approaches. The proposed algorithm was implemented on a commercial CAD system and tested with selected industrial product models, along with parameterization of recognized features for further design change.

• Textile Coloration and Finishing
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• v.2 no.3
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• pp.26-35
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• 1990

This study was carried out with the view of fundamental investigating to improve the tactile and the hygroscopicity of Poly(ethylene Terephthalate) (PET)fibers. Mono-sodium ethylene glycolate in ethylene glycol (MSEG-EG) solution was prepared and PET films were treated with it. The following conclusions were obtained. When PET films were decomposed in MSEG-EG solution, decomposition rate constant showed an exponential relationship with treating temperature; activition energy was 23.30 Kcal/mol, activation enthalpy was 22.52~22.60 Kcal/mol and activation entropy was -29.20~ -29.41 e.u. On the basis of the results obtained above and structure identification of decomposition products, it was found that the decomposition reaction proceeded through ester interchange reaction.

• Journal of Korean Institute of Industrial Engineers
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• v.28 no.1
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• pp.36-43
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• 2002

We analyze bulk service $M/G^{b}/1$ queues using the arrival time approach of Chae et al. (2001). As a result, the decomposition property of the M/G/1 queue with generalized vacations is extended to the $M/G^{b}/1$ queue in which the batch size is exactly a constant b. We also demonstrate that the arrival time approach is useful for relating the time-average queue length PGF to that of the departure time, both for the $M/G^{b}/1$queue in which the batch size is as big as possible but up to the maximum of constant b. The case that the batch size is a random variable is also briefly mentioned.

• Journal of Pharmaceutical Investigation
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• v.20 no.3
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• pp.145-152
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• 1990

Zirconium pyrithione complex was prepared by reaction of sodium-pyrithione solution and zirconyl chloride solution. The physico-chemical properties of the complex was examined by means of IR, XRD, DSC and NMR. And the stability of Zr-complex was investigated on the basis of accelerated stability analysis under conditions of temp. elevation, UV radiation and pH dependence. The result indicates that the ratio of the ligand to metal in Zr-pyrithione complex was determined 4:1, and its stability constant was $4.643{\times}10^4$. The rate order of decomposition of the complex was apparent first-order reaction of which rate constant and the decomposition rate was not only accelerated by effect of heat and UV radiation but was catalyzed by specific acid-base catalysis considered the pH dependence for the hydrolysis of the complex and the suspension was most stable over the range pH 4-8 indicating that solvent catalysis is the primary made of reaction in this region.

• Journal of Mechanical Science and Technology
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• v.19 no.spc1
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• pp.429-436
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• 2005

This paper presents a precise and stable time integration method for dynamic analysis of vibration or multibody systems. A total system is divided into several subsystems and their responses are calculated separately, while the coupling effect is treated equivalently as constant force during time steps. By using iterative procedure to improve equivalent coupling forces, a precise and stable solution is obtained. Some examples such as a seismic response and multibody analyses were carried out to demonstrate its usefulness.

• Journal of Plant Biology
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• v.23 no.2
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• pp.45-48
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• 1980

Effects of habitat and substrate quality on decomposition rate of litters of Larix kaempferi and Quercus serrata were estimated in Kwangnung forest. The amount of organic matter under the canopy of Quercus serrata stand was higher than that under the canopy of Larix kaempferi. The loss constant of litters in the Larix kaempferi stand was higher than that in the Quercus serrata stand.