• Bulletin of the Korean Chemical Society
• /
• v.31 no.8
• /
• pp.2333-2336
• /
• 2010

$TiO_2$ thin films were synthesized on carbon fibers using chemical vapor deposition. We show that these films can exhibit extraordinarily high absorption capacities of toluene vapor. Such an absorption phenomenon of toluene at room temperature was not found for other $TiO_2$ samples. Upon toluene absorption change in the color (darkening) of the film was found, indicating that these films can be used as an indicator of the existence of volatile organic compounds in the indoor environments. By X-ray Photoelectron Spectroscopy (XPS) and Scanning Electron Microscopy (SEM), a high concentration of OH species and a unique layered structure were found for the $TiO_2$ films and these could be related to their high absorption capacity of toluene.

• Korean Chemical Engineering Research
• /
• v.47 no.3
• /
• pp.380-385
• /
• 2009

The absorption rate of carbon dioxide with 2-amino-2-methyl-1-propanol(AMP) was measured in such non-aqueous solvents as methanol, ethanol, n-propanol, n-butanol, ethylene glycol, propylene glycol, and propylene carbonate, and in water at 298 K and 101.3 kPa using a semi-batch stirred tank with a plane gas-liquid interface. The overall reaction rate constant, obtained under the condition of fast reaction regime, from the measured rate of absorption was used to get the elementary reaction rate constants in complicated reactions represented by reaction mechanism of carbamate formation and the order of overall reaction of $CO_2$ with amine. The correlation between the elementary reaction rate constant and the solubility parameter of the solvent was also presented.

• Clean Technology
• /
• v.14 no.4
• /
• pp.281-286
• /
• 2008

Absorption rate of carbon dioxide was measured in the aqueous polyacrylamide (PAA) solution containing triethanolamine (TEA) of $0{\sim}2.0\;kg\;mol/m^3$ in a flat-stirred vessel with an impeller of 0.05 m and agitation speed of 50 rpm at $25^{\circ}C$ and 101.3 kPa. The chemical absorption rate of $CO_2$ was estimated by mass transfer mechanism based on the film theory using the physicochemical properties containing the liquid-side mass transfer coefficient of $CO_2$ and the kinetics of reaction between $CO_2$ and TEA to compare with the measured rate. The aqueous PAA solution acted as a reducing agent by viscoelastic property of non-Newtonian liquid based on the same viscosity of the solution.

• Korean Chemical Engineering Research
• /
• v.43 no.2
• /
• pp.286-293
• /
• 2005

An interpretation on the solid circulation characteristics in a fluidized-bed process has been carried out as a first step to simulate the dry entrained-bed absorption and bubbling-bed regeneration system for $CO_2$ removal from flue gas. A particle population balance has been developed to determine the solid flow rates and particle size distributions in the process. Effects of principal process parameters have been discussed in a laboratory scale process (absorption column: 25 mm i.d., 6 m in height; regeneration column: 0.1 m i.d., 1.2 m in height). The particle size distributions in absorption and regeneration columns were nearly the same. As gas velocity or static bed height in the absorption column increased, soild circulation rate and feed rate of fresh sorbent increased, however, mean particle diameter decreased in the absorption column. As cut diameter of the cyclone of the absorption column increased, solid circulation rate decreased, whereas feed rate of fresh sorbent and mean particle diameter in the absorption column increased. As attrition coefficient of sorbent particle increased, solid circulation rate and feed rate of fresh sorbent increased but mean particle diameter in the absorption column decreased.

• Proceedings of the Korean Society of Dyers and Finishers Conference
• /
• 2008.10a
• /
• pp.131-132
• /
• 2008

Several squarylium dyes, derived from benzothiazole and indoles, were synthesized as a potential NIR dyes with absorption in the 700-900 nm region. These chromophores were induced much more bathochromic shift in the absorption maximum of the compound relative to the neutral parent squarylium dyes which we were described before. The squaryliums offer a convenient way of linking the dye to functional substrates and may be an advantage to be potential chromophores for NIR-absorbing, NIR-Cut-off filter, PDT(Photo Dynamic Therapy) materials.

• Bulletin of the Korean Chemical Society
• /
• v.32 no.7
• /
• pp.2358-2368
• /
• 2011

Density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations, employing the B3LYP method and the LANL2DZ, 6-31G$^*$(LANL2DZ for Tc), 6-31G$^*$(cc-pVDZ-pp for Tc) and DGDZVP basis sets, have been performed to investigate the electronic structures and absorption spectra of the technetium-99m-labeled methylenediphosphonate ($^{99m}Tc$-MDP) complex of the simplest diphosphonate ligand. The bonding situations and natural bond orbital compositions were studied by the Mulliken population analysis (MPA) and natural bond orbital (NBO) analysis. The results indicate that the ${\sigma}$ and ${\pi}$ contributions to the Tc-O bonds are strongly polarized towards the oxygen atoms and the ionic contribution to the Tc-O bonding is larger than the covalent contribution. The electronic transitions investigated by TDDFT calculations and molecular orbital analyses show that the origin of all absorption bands is ascribed to the ligand-to-metal charge transfer (LMCT) character. The solvent effect on the electronic structures and absorption spectra has also been studied by performing DFT and TDDFT calculations at the B3LYP/6-31G$^*$(cc-pVDZ-pp for Tc) level with the integral equation formalism polarized continuum model (IEFPCM) in different media. It is found that the absorption spectra display blue shift in different extents with the increase of solvent polarity.

• Journal of the Korean Chemical Society
• /
• v.7 no.1
• /
• pp.58-64
• /
• 1963

Authors propose a new technique using polyethylene film instead of sodium chloride window as a cell material. Nujol mulls, liquids and aqueous solutions are sandwitched between two pieces of polyethylene film which are held between cardboards. Ordinary lead or stainless steel spacers could be used if exact cell thickness is desired. A more elaborate cell can be assembled by injecting samples between two pieces of polyethylene film which are placed between sodium chloride windows of ordinary demountable liquid cell. The absorption bands due to polyethylene and Nujol are compensated by placing the polyethylene film of suitable thickness in the reference beam. The absorption bands due to solvents such as water can also be compensated by the polyethylene film cell sandwitched solvent of suitable thickness in the reference beam. This method would be a simple new technique. Especially this technique may offer a new helpful way for the investigation of the state of substances in aqueous system. Using this technique, authors have observed the appearance of an absorption bands at 3.2 micron, in the spectrum of phenol in aqueous solution, that is absent in the spectrum of phenol in benzene solution. The same absorption band also has been observed in the spectra of aqueous formaldehyde solution and aqueous polyvinyl alcohol solution, where the absorption bands due to polyethylene and water are compensated. Although it may be regarded that this absorption band is related to the intermolecular interaction between water and the solute having OH group, that is hydrogen bonding. The exact assignment of this absorption band is out of this work.

• Journal of Korean Society of Occupational and Environmental Hygiene
• /
• v.30 no.2
• /
• pp.226-235
• /
• 2020

Objectives: This study was to investigate the signs and notations of skin absorption, carcinogenicity, germ cell mutagenicity, and reproductive toxicity in the occupational exposure limits of Korea and of other advanced countries. Methods: Information on occupational exposure limits in Korea, the USA, the UK, Germany, and Japan was investigated through the Internet, and items marked as carcinogenicity and skin absorption were compared by country. Results: Legal occupational exposure limits have been greatly simplified. However, in the case of HSE WEL, skin absorption, carcinogenicity classification, sensitization, and in the case of DFG MAK, skin absorption, carcinogenicity, pregnancy risk group, germ cell mutagenicity, airway and skin sensitization, photo contact sensitization, and vapor pressure were provided. Conclusions: It is desirable to indicate the carcinogenicity and skin absorption within permissible limits, and to include information on critical effects in chemical substance exposure limits to uphold the right to know of industrial hygienists and workers in Korea. It is also necessary to clarify the precautions, limitations and protections for skin absorption.

• ETRI Journal
• /
• v.24 no.3
• /
• pp.221-225
• /
• 2002

We performed nonlinear transmission measurements and quantum-chemical calculations on dithienothiophene(DTT)-based molecules to gain insight into the effect of acceptor and donor groups on two-photon absorption(TPA) properties. The TPA intensity showed dispersion characteristics of the single-photon absorption spectrum. When the molecules included an asymmetric donor-acceptor pair, the single- and two-photon absorption maximum wavelengths were red-shifted more than when the molecules had a symmetric donor-donor structure. We interpreted this result as indicating that the $S_2$ state plays the dominating role in the absorption process of molecules with a symmetric structure. The experimental TPA ${\delta}$ values at the absorption peak wavelength showed a dependence on the structural variations. We found the self-consistent force-field theory and Hartree-Fock Hamiltonian with single configuration interaction formalism to be valid for evaluating TPA ${\delta}$. Although the quantum-chemical calculations slightly underestimated the experimental ${\delta}$ values obtained from nonlinear trans -mission measurements, they reasonably predicted the dependence of the ${\delta}$ value on the structural variations. We confirmed the role of molecular symmetry by observing that donor-donor substituted structure gave the highest experimental and theoretical TPA ${\delta}$ values and that the donor-acceptor substituted structure showed a greater red-shift in the TPA absorption maximum wavelength. Overall, the theoretical ${\delta}$ values of DTT-based molecules were in the order of $10^{-46}\;cm^4{\cdot}s{\cdot}photon^{-1}$ and are higher than that of AF-50 by nearly two orders of magnitude.

• Bulletin of the Korean Chemical Society
• /
• v.17 no.9
• /
• pp.826-830
• /
• 1996

Fourier transform infrared (FTIR) temperature studies were performed to examine the microstructural changes that occur in annealing process of the thin films of 1,2-polybutadiene (1,2-PBu)/palladium chloride (PdCl2) complex. The disappearance of the infrared absorption intensities at 1640, 1418, 994 and 910 cm-1 signifies the consumption of 1,2-vinyl groups of 1,2-PBu. The progressive loss of unsaturation and production of methyl groups as a function of temperature were identified by the enhanced infrared absorption intensities at 1447 and 1375 cm-1. The loss of pendent carbon-carbon double bond is considered to involve both palladium-catalyzed addition reaction and thermally induced cyclization.