• The Journal of Natural Sciences
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• v.1
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• pp.47-59
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• 1987

The thermal decomposition mechanism of BaTiO($$C_2$$O_4$)_2$ $4H_2$O has been investigated employing TG, DTG, and DTA techniques. The intermediate compounds and the gaseous products of decomposition were examined by IR spectrometer and X-ray analyser. The decomposition proceeds through five steps. The first step which is the dehydration of the tetrahydrate is followed by the decomposition of oxalate groups. During the second decomposition, half a mole of carbon monoxide is evolved. The oxalate groups are completely destroyed in the range $260~460^{\circ}C$, resulting in the formation of a carbonate which retains free carbon dioxide in the matrix . the final decomposition of the carbonate takes place between $650~750^{\circ}C$ and yields $BaTiO_3$.

• 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.

• Journal of the Korean Chemical Society
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• v.47 no.3
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• pp.199-205
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• 2003

Complexes of uranyl ion $UO^{+2}_2$with Schiff-bases obtained by condensing glycylglycine with salicylaldehyde; 2-hydroxy-1-naphthaldehyde, 2,3-dihydroxybenzaldehyde, and 2,4-dihydroxybenzaldehyde have been synthesized and characterized through elemental analysis, conductivity measurements, magnetic susceptibility determinations, u.v., i.r. and $^1H$ nmr spectra as well as d.t.a., t.g. and d.s.c. techniques. Structures and mechanisms of thermal decomposition are proposed.

• Bulletin of the Korean Chemical Society
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• v.13 no.3
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• pp.334-336
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• 1992

Through two different techniques TGA and DSC the thermal decomposition processes of salicyaldehyde G-P complexes having the general formula: $$[MCl_2(L)_2]^{2+}$2Cl^-$; where L = salicyaldehyde carbohydrazone pyridinum cation, and M= Fe(III), Co(II), Cu(II) and Zn(II), have been studied. From the obtained thermogravimetric curves the following parameters n, $E_{\alpha}$, A, ${\Delta}S^{\neq}$, ${\Delta}H^{\neq}$ and ${\Delta}G^{\neq}$ were evaluated. The effect of the nature of the metal ions present in the complexes studied upon the calculated thermodynamic parameters was reported. A suitable mechanism for the thermal decomposition process was suggested.

• Journal of the Korean Society of Safety
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• v.18 no.3
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• pp.81-87
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• 2003

Latex polymers are widely used for adhesive, binder, paint etc. Especially the PVAc(Polyvinyl acetate) latex which manufactured by vinyl acetate and vinyl alcohol as protective colloid is a useful environmentally friendly adhesive. To increase useful property of PVAc latex, this study was carried out for checking thermal characteristics and physical condition of PVAc latex by DSC, FT-IR, Pyrolyzer GC-MS. The activation energies of thermal decomposition for 40, 48, 56, 64% solid content of PVAc latex were found as 28.1-36.0kcal/mol by Kissinger's method and 17.2-22.0kcal/mol by DSC method. Actually, reasonable solid content could be consiered as 56% because of activation energy and adhesive characteristics. According to the effect of protective colloid for 4, 10, 15, 20wt%, the activation energy shows same tendency to both method and in case of l5wt% has been found as the highest activation energy. The mechanism of thermal decomposition was mainly estimated by main chain scission, not by side group on FT-IR analysis. Main component of Pyrolzer GC-MS result were consisted of $CH_3COOH$, $CH_3$, $H_2O$ and light gases(CO, $CO_2$, $CH_4$ etc).

• Proceedings of the Korean Powder Metallurgy Institute Conference
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• 2006.09a
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• pp.219-220
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• 2006

To understand the effect of powder characteristics on the thermal debinding behavior, PIM parts produced with powders with different particle sizes and particle shapes were examined to determine their weight losses during thermal debinding. The results show that the average diameter of the pore channel in the compact increased when the temperature increased and when coarse powders were used. However, the weight loss rates did not increase proportionally with the pore size. This suggests that the different powders that are frequently used in PIM parts do not affect the thermal debinding rate significantly. This is because the pore size is much larger than the mean free path of the decomposed gas molecules. Thus, the diffusion rates of the gases are not rate-controlling in thermal debinding. The controlling mechanism of the thermal debinding rate is the decomposition of the backbone binder in the PIM parts.

• Journal of the Korean Chemical Society
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• v.55 no.3
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• pp.341-345
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• 2011

The Schiff base cobalt(II) complex, bis[4-chloro-2-((E)-(isopropylimino) methyl) phenol]cobalt(II), has been prepared and characterized by single-crystal X-ray diffraction analyses. The phenomenological, kinetic and mechanistic aspects of the cobalt (II) complex have been studied by TG/DTG techniques. On the basis of the experimental data, the kinetic parameters such as activation energy, pre-exponential factor and entropy of activation were computed, and then the most probable mechanism function was estimated as $g({\alpha})={\alpha}^2$ 2. Hence the rate controlling process at all stages of decomposition is onedimensional diffusion (Parabolic model).

• Elastomers and Composites
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• v.57 no.4
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• pp.165-174
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• 2022

The effect of fumed silica loading on the thermal stability and mechanical properties of fluorosilicone (FVMQ) rubber was investigated. The distribution of fumed silica inside FVMQ was characterized using scanning electron microscopy, and the thermal stability of composites was evaluated using thermogravimetric analysis and by the changes in mechanical performance during thermo-oxidative aging. The function mechanism of fumed silica was studied by Fourier transform infrared spectroscopy. The results show that with increasing silica content, the crosslink density of composites, the modulus at 100%, and tensile strength also increased, whereas the elongation at break decreased. Furthermore, increasing the silica content of composites increased the initial decomposition temperature (T_d) and residual weight of the composite after exposure to nitrogen. In addition, the thermal oxidative aging experiment demonstrated improved aging resistance of the FVMQ composites, including lower change in tensile strength, elongation at break, and modulus at 100%.

• 연구논문집
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• s.24
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• pp.81-96
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• 1994

To investigate failure mechanisms observed in carbon-phenolic thermal insulators, differential equations which govern the decomposition process in a deformable anisotropic porous solid are derived for three-dimensional axisymmetric constructions. The governing equations not only couple the material deformation with pore pressure, but also couple pressure and temperature, which means that heat convected by the pyrolysis gases is properly accounted for. Then the Bubnov-Galerkin finite element method is applied to these equations to transform them into a semidescrete finite element system. A thermal insulation liner in the cowl region under typical operating conditions is analyzed to find a mechanism for plylift. The results from the structural analysis show across-ply failure in the cowl zone. The mechanism for plylift is hypothesized as a sequential procedure : 1) the across-ply failure which is the precursor to plylift and 2) the local fiber buckling caused by generation of excessive in-plane compressive stress. To prevent plylift, the across-ply stress can be reduced by using appropriate material ply angles in cowl zone design.

• Applied Chemistry for Engineering
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• v.25 no.4
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• pp.418-424
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• 2014

The improved thermal stability and anti-oxidation properties of Lyocell fiber were studied based on flame retardant treatment by using NaCl/$H_3PO_4$ solution. The optimized conditions of flame retardant treatment were studied on various maxing ratio of NaCl and $H_3PO_4$ and the mechanism was proposed through experimental results of thermal stability anti-oxidation. The IPDT (integral procedural decomposition temperature), LOI (limited oxygen index) and $E_a$ (activation energy) increased 23, 30 and 24% respectively via flame retardant treatment. It is noted that thermal stability and anti-oxidation improved based on char and carbon layer formation by dehydrogenation and dissociation of C-C bond resulting the hindrance of oxygen and heat energy into polymer resin. The optimized conditions for efficient flame retardant property of Lyocell fiber were provided using NaCl/$H_3PO_4$ solution and the mechanism was also studied based on experimental results such as IDT (initial decomposition temperature), IPDT, LOI and $E_a$.