• Bulletin of the Korean Chemical Society
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• v.32 no.12
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• pp.4195-4198
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• 2011

Intramolecular ${\pi}-{\pi}$ and ${\sigma}-{\pi}$ interactions are omnipresent for numerous energetic and structural phenomena in nature, and the exact description of these nonbonding interactions plays an important role in the accurate prediction of the three-dimensional structures for numerous interesting molecular systems such as protein folding and polymer shaping. We have selected two prototype molecular systems for benchmarking calculations of intramolecular ${\pi}-{\pi}$ and ${\sigma}-{\pi}$ interactions. Accurately describing conformational energy of such systems requires highly elaborate but very expensive ab initio methods such as coupled cluster singles, doubles, and (triples) (CCSD(T)). Our calculations reveal a double hybrid density functional incorporating dispersion correction (B2PLYP-D) that agrees excellently with the CCSD(T) results, indicating that B2PLYP-D can serve as a practical method of choice.

• Korean journal of food and cookery science
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• v.12 no.3
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• pp.300-304
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• 1996

Jeungpyun Products prepared with different fermentation time (0-10 hours) were analyzed to study phenomena occurred during steaming of Jeungpyun dough. The tendencies of changes in chemical Properties of Jeungpyun Products according to the fermentation time were similar to those of Jeungpyun dough. Titratable acidity, lactic acid, total sugar content, reducing sugar content, soluble protein and total content of free amino acid of Jeungpyun product decreased while its pH increased somewhat, during steaming compared with those of Jeungpyun dough. Especially reducing sugar decreased greatly.

• Journal of Microbiology and Biotechnology
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• v.11 no.5
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• pp.781-787
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• 2001

The binding of heavy metals by a biosorbent with binary functional groups was mathematically modeled. An FT-IR spectrophotometer analysis was employed to determine the stoichiometry between the protons in the functional groups of alginic acid and lead ions as a model system. The results calculated using an equilibrium constant agreed well with the experimental results obtained under various operating conditions, such as pH and metal ion concentration. It was also shown that the overall adsorption phenomenon of alginic acid was mainly due to its carboxyl groups. The equilibrium constants for each functional group successfully predicted the lead adsorption of ${\alpha}$-cellulose. Furthermore, the biosorption model could predict the adsorption phenomena of two metal ions, lead ions and calcium ions, relatively.

• Carbon letters
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• v.1 no.2
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• pp.87-90
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• 2000

Porous carbon from charcoal filled polypropylene composites were prepared and their mechanical properties were evaluated. In preparing the composites, crosslinking agent (sodium benzonate) were used in order to improve the bonding force between matrix and fillers. In this study, the effects of charcoal powder and sodium benzonate concentration on the mechanical properties and interface phenomena on the composites were evaluated. The mechanical properties of composites increased progressively with the decrease of filler loading. In the case of addition of the crosslinking agent into the composite, the mechanical properties were increased and showed maximum value at the 3 wt% concentration of sodium benzonate. According to the result of the TGA, the weight loss of composite according to crosslinking agent was not observed and initial thermal degradation temperature of composite reinforced charcoal was located at $390^{\circ}C$.

• Korean Membrane Journal
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• v.6 no.1
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• pp.30-36
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• 2004

The gas permeation performance of commercially available polyetherimide (Ultem$\^$/) is simulated by means of molecular dynamics methods. By the observation of trajectory, long distance hopping of gas molecules is needed to transverse from top to bottom of membrane. Two possibilities mechanism of diffusion phenomena through glassy polymers can be issued. Diffusion coefficients were calculated by Einstein relation equation. In solubility simulation, the value of the constants C'$\_$H/ and b for O$_2$ at 300 K were calculated. The diffusion and solubility coefficient of He for PEI were simulated in this simulation work. the permeability coefficient is 9.88 Barrer. This value is closed to experimental value of 9.4 Barrer.

• Nuclear Engineering and Technology
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• v.49 no.8
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• pp.1636-1644
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• 2017

The main purpose of this article is to describe the magnetohydrodynamic stagnation point flow of Walter-B nanofluid over a stretching sheet. The phenomena of heat and mass transfer are based on the involvement of thermal radiation and chemical reaction. Characteristics of Newtonian heating are given special attention. The Brownian motion and thermophoresis models are introduced in the temperature and concentration expressions. Appropriate variables are implemented for the transformation of partial differential frameworks into sets of ordinary differential equations. Plots for velocity, temperature, and nanoparticle concentration are displayed and analyzed for governing parameters. The skin friction coefficient and local Nusselt and Sherwood numbers are studied using numerical values. The temperature and heat transfer rate are enhanced within the frame of the thermal conjugate parameter.

• Carbon letters
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• v.8 no.2
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• pp.134-136
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• 2007

In this work, activated carbons (ACs) were prepared from polystyrene-based cation-exchangeable resin (PSI) by a chemical activation with KOH as an activating agent. The surface morphologies were observed by using SEM, and the textural properties were investigated by using nitrogen adsorption at 77 K. From the experimental results, it was found that the well-developed micro- and mesopores were produced by a chemical activation, and the textural properties including specific surface areas and pore volumes were greatly enhanced. The electrochemical behaviors of the ACs showed similar phenomena with that of textural properties. These results indicated that KOH activation played an important role in the changes of surface, and pore structures, resulting in enhancing the electrochemical properties of the ACs prepared in present work.

• Biotechnology and Bioprocess Engineering:BBE
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• v.7 no.6
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• pp.362-366
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• 2002

A mathematical model has been developed for describing the oxygen concentration during the exponential growth of microorganisms, in a static solid substrate bed supported on a tray fermentor. The model equations comprise of one partial differential equation for mass transfer and an ordinary differential equation of growth. After nondimensionlisation, analytical solution tn the model has been obtained by the method of Laplace transforms. An expression for critical thickness of bed is deduced from the model equation. The significance of the model in the design of tray fermentors is discussed. The validity of the discussion is verified by taking an illustration from the literature.

• Journal of the Korean Chemical Society
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• v.60 no.5
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• pp.327-341
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• 2016

This study explores the effective visual resources in the “regularity in chemical reactions” unit of ninth grade science textbooks (2009 revised version). The frequency and role of visual resources were initially examined, and the students’ perceptions of visual resources were investigated. The results of the analysis represented the learning material presentation (68%), motivational categories (14%), guide to inquiry procedures (9%), and inquiry results and summaries (8%). According to the investigation of the students’ perceptions of visual resources, the most effective visual resource for motivation is a photograph depicting physical and chemical changes, such as in bread baking and the most effective for learning material presentations in mass conservation, definite proportion, and stoichiometric concept units were a cartoon, graph, and formula representing stoichiometric phenomena, respectively. The most effective resource for guide to inquiry (experimental) procedures were photographs of both instruments and sequential experiment processes; and in the inquiry results and summary category, incomplete tables and graphs for students to work on themselves. The aims of this research are to increase the usefulness of visual resources in the teaching-learning activity and provide informative supplements for the development and improvement of visual resources, according to the students’ perceptions.

• Elastomers and Composites
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• v.34 no.3
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• pp.239-246
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• 1999

Side wall samples from a used automotive tire were subjected to subcritical and supercritical decomposition and extraction with three solvents, water, 28% ammonia solution and ammonia. For 6mm cube samples the rate of supercritical extraction with water followed a first-order kinetics with an activation energy of 140 kJ/mol. Solvent power of 28% ammonia so lotion at supercritical condition was found to be higher than supercritical water at initial extraction as pressure decreased. These phenomena were considered to be an effect of ammonia involved in water.