• The Korean Journal of Rheology
• /
• v.9 no.1
• /
• pp.1-5
• /
• 1997

새로이 합성한 계면확성제와 대표적 분산용 계면활성제의 분산효과를 상호 비교해 보기 위하여 고농도 석탄-물 슬러리계에 대한 유변학ㅈ거 성질을 측정하였다. 0~$25^{\circ}C$ 온도 범위에서 얻어진 유동곡선으로부터 여러 가지 유동 파라미터를 구한 결과, PS가 상대적으로 structure factor, C2와 shear modulus, $\chi$2/$\alpha$2 값에 있어서 큰 감소를 보여 주엇으며 특히 shear modulus는 계면활성제의 종류에 따라 큰차이를 보여주었다. 이러한 현상을 PS가 다 가음이곤 고분자 전해질과 유사한 구조를 갖고있어서 석탄 입자에 흡착시 입자간 정전기적 반발과 입체장애를 초래하여 슬러리의 유동성을 향상시킨데 따른 결과로 해석된다.

• Proceedings of the Korean Institute of Building Construction Conference
• /
• 2016.05a
• /
• pp.137-138
• /
• 2016

Palm Oil Fuel Ash(POFA),which is burned in palm oil factories to get energy and gathered, has been studied in many countries due to its chemical properties. However POFA has high value of LOI and lots of pores on its particle surface. Therefore, in this study, POFA's fluidity were confirmed by mini-slump test and plastic viscosity test. Through the results, fluidity of POFA reduced according to the replacement ratio of POFA because of high value of LOI and its pores on surface and plastic viscosity of POFA increased. In addition, when superplasticizer was added, fluidity increased due to the steric effect of polycarboxylate superplasticizer.

• Bulletin of the Korean Chemical Society
• /
• v.23 no.6
• /
• pp.811-817
• /
• 2002

Gibbs ensemble Monte Carlo simulations were performed to calculate the vapor-liquid coexistence properties for the binary mixtures $CO_2/CH_3OH$, $CO_2/C_2H_5OH$, and $CO_2/CH_3CH_2CH_2OH.$ The configurational bias Monte Carlo method was used in the simulation of alcohol. Density of the mixture, composition of the mixture, the pressure-composition diagram, and the radial distribution function were calculated at vapor-liquid equilibrium. The composition and the density of both vapor and liquid from simulation agree considerably well with the experimental values over a wide range of pressures. The radial distribution functions in the liquid mixtures show that $CO_2$ molecules interact more stogly with methyl group than methylene group of $C_2H_5OH$ and $CH_3CH_2CH_2OH$ due to the steric effects of the alcohol molecules.

• Bulletin of the Korean Chemical Society
• /
• v.31 no.10
• /
• pp.2893-2896
• /
• 2010

In this study, the optimal preparation conditions in the polymerization process of poly(ethylene terephthalate) (PET) were studied in detail. As a result, the dispersibility of $TiO_2$ was significantly improved by the addition of dispersant and steric hinderance additives into $TiO_2$/ethylene glycol (EG) slurry during the esterification step. The addition sequence of $TiO_2$/EG slurry and stirring also affected the dispersibility of $TiO_2$. The SEM results showed that some $TiO_2$ particles were agglomerated in the PET matrix. The full dull (FD) PET chip and fiber were prepared according to the optimal preparation conditions. The FD PET fiber exhibited a better dispersibility than that of the FD PET chip.

• Bulletin of the Korean Chemical Society
• /
• v.26 no.1
• /
• pp.85-90
• /
• 2005

MX and its analogs are synthesized and modeled by quantitative structure activity relationship (QSAR) study including comparative molecular field analysis (CoMFA). As a result, factors affecting this class of compounds have been found to be steric and electrostatic effects. Because hologram quantitative structure activity relationship (HQSAR) technique is based on the 2-dimensional descriptors, this is free of ambiguity of conformational selection and molecular alignment. In this study we tried to include all the data available from the literature, and modeled with the HQSAR technique. Among the parameters affecting fragmentation, connectivity was the most important one for the whole compounds, giving good statistics. Considering additional parameters such as bond specification only slightly improved the model. Therefore connectivity has been found to be the most appropriate to explain the mutagenicity for this class of compounds.

• Bulletin of the Korean Chemical Society
• /
• v.33 no.7
• /
• pp.2260-2264
• /
• 2012

The kinetics and mechanism of the pyridinolysis ($XC_5H_4N$) of dimethyl isothiocyanophosphate are investigated in acetonitrile at $55.0^{\circ}C$. The Hammett and Br$\ddot{o}$nsted plots for substituent X variations in the nucleophiles exhibit two discrete slopes with a break region between X = 3-Ac and 4-Ac. These are interpreted to indicate a mechanistic change at the break region from a concerted to a stepwise mechanism with a rate-limiting expulsion of the isothiocyanate leaving group from the intermediate. The relatively large ${\beta}x$ values imply much greater fraction of frontside nucleophilic attack TSf than that of backside attack TSb. The steric effects of the two ligands play an important role to determine the pyridinolysis rates of isothiocyanophosphates.

• Bulletin of the Korean Chemical Society
• /
• v.28 no.11
• /
• pp.2034-2040
• /
• 2007

Efficient catalytic systems, where Ni or Pd is introduced in a supporting material of nanoporous carbon, have been developed for a liquid-phase hydrogenation of carboxylic acids and ketones at room temperature. It has been found that the catalysts reliably show high activities and selectivities for the hydrogenation to alcohols even in acidic conditions, and the catalytic activities depend on the preparative method of catalysts, the hydrogen pressure, the agitation rate, and the catalytic species. The hydrogenation of carboxylic acids and ketones clearly shows that the reaction rate is affected by the electronic and the steric effects, and a plausible reaction mechanism using metal hydrides as catalytic species is proposed.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.8
• /
• pp.2491-2494
• /
• 2013

The effect of additives in an electrolyte solution on the conversion efficiency of a dye sensitized solar cell was investigated. A density functional theory (DFT) method was used to examine the physical and chemical properties of nitrogen-containing additives adsorbed on a $TiO_2$ surface. Our results show that additives which cause lower partial charges, higher Fermi level shifts, and greater adsorption energies tend to improve the performance of DSSCs. Steric effects that prevent energy losses due to electron recombination were also found to have a positive effect on the conversion efficiency. In this work, 3-amino-5-methylthio-1H-1,2,4-triazole (AMT) has been suggested as a better additive than the most popular additive, TBP, and verified with experiments.

• Journal of Hydrogen and New Energy
• /
• v.9 no.3
• /
• pp.119-125
• /
• 1998

The modified statistical-mechanical theory for dense fluid mixtures of rigid spheres has been applied to rigid sphere fluids in the nonoverlapping pore model. The resulting expressions for the partition coefficient and diffusivity illustrate the influence of steric hindrance on the thermodynamic and transport properties in such systems. The open membrane model without the size-exclusion and shielding effects shows considerable overestimation of the diffusion flux when the effective mean pore radii of the order of $20{\AA}$ or less are involved. Theoretical predictions investigated here were also compared with experimental data for hydrogen gases in inorganic porous membranes and it was observed a qualitative agreement in the low pressure limit.

• Bulletin of the Korean Chemical Society
• /
• v.13 no.1
• /
• pp.59-64
• /
• 1992

The contrasting behaviour of meso-and d,l-$D_3$-trishomocubylidene-$D_3$-trishomocubane (1 and 2) in the electrophilic addition reaction, the former giving rearranged spiro compound (1a and 1b) and the latter giving 1,2-adduct (2a and 2b), has been explained as arising from the secondary steric effects based on computational evidence. As the degree of out-of-plane deformation of the olefinic carbon atoms increases with reaction progress, the resulting internal congestion in the region behind the double bond becomes unbearably large in meso-1. The absence of symmetry plane across the double bond of d,l-2 helps for the closing fragments to adjust themselves.