• Journal of the Korean Chemical Society
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• v.14 no.2
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• pp.185-192
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• 1970

The extension of the theory of the electrolyte solution to the calculation of the hydration number and the mean activity coefficient of some 1:1 electrolytes in the concentrated solutions has been made. In this derivation, the hydration number has been calculated from the equation of the dielectric constant proposed by Hobbs, Jhon, and Eyring, and the mean activity coefficient from the theoretical formula developed by Jhon and Eyring. The agreement between theory and experiment over a.wide concentration range is quite satisfactory.

• Proceedings of the Korean Society of Precision Engineering Conference
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• 1996.11a
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• pp.105-109
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• 1996

The calculation of the total power required at the Continuous Extrusion Forming(CONFORM) has been performed by the theoretical analysis of three transformation regions(primary grip length and extrusion grip length, flashing). In this study, that was performed by five transformation regions(biting, upsetting, filling, extruding, flashing)and four transformation regions(biting, upsetting and filling, extruding, flashing) and then results of theoretical analyses were compared with experimental results. Results of analysis by four and five transformation regions than that of three transformation regions in the CONFORM showed in a good agreement with experimental results.

• Macromolecular Research
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• v.8 no.6
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• pp.292-297
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• 2000

The theoretical synthesis of the isotactic and syndiotactic poly(methyl methacrylate) were carried out as a model for real polymerization reactions following the normal chain reaction processes by repeating the uniform localization of wave functions with inclusion of the interaction between the end group of the cluster and an attaching molecule by the elongation method, and then, the calculated value was compared with the usual PM$_3$ calculation. The results revealed that a reaction of cluster with monomer molecules has made it possible to calculate the electronic structure and total energy of polymer with nearly infinite length and a matrix of constant dimension. The isotactic poly(methyl methacrylate) is more stable than syndiotactic one. The same tendency have been found between the experimentally measured properties and a calculated total energy to explain the chain motion in isotatic and syndiotactic poly(methyl methacrylate).

• Bulletin of the Korean Chemical Society
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• v.34 no.5
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• pp.1441-1444
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• 2013

Hetero-dimer anions of naphthalene (Np), anthracene (An), phenanthrene (Ph) and pyrene (Py) were investigated using the time-of-flight mass spectrometer (TOF-MS), anion photoelectron spectroscopy (PES) and theoretical calculation. There are two possible geometries with their electron affinity (EA) difference: parallel displaced (PD) and T-shaped. Dispersion force plays a key role in PD structure with the formation of a new anionic core while ${\pi}$-hydrogen interaction plays a key role in T-shaped structure with the monomer anionic core. The optimized structures and charge distributions can simply be explained by the relative difference of EA.

• Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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• 1997.10a
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• pp.76-81
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• 1997

In this paper, the combustion characteristics of marine diesel engines are investigated. Also, the pv diagrams of diesel engine and the torque harmonic coefficients are calculated. Their reliability are verified by comparing the calculated values with those of engine maker. The calculated results of torsional vibration with these theoretical harmonic coefficients show very good agreement with those of engine maker's results. The results of this study may be useful for the calculation of torsional vibration for diesel engine propulsion shafting, especially for 4-stroke engine which is not easy to get harmonics.

• Bulletin of the Korean Chemical Society
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• v.13 no.2
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• pp.173-176
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• 1992

The spectroscopic studies of the 5,7-dimethoxycoumarin(5,7-DMC) and 4,5',8-trimethylpsoralen(TMP) and the conformational stability of 5,7-DMC-thymidine, 4,5',8-TMP-thymine were carried out by the CNDO/S and molecular mechanics calculation. Theoretical transition energies and direction of polarizations calculated by the CNDO/S method have been used for the interpretation of the observed results. The calculated absorption spectra of 5,7-DMC are qualitatively similar to experimental ones with their characteristic visible bands. MM2 force field calculation on the possible $C_4-cyclophotoadducts$ formed between 5,7-DMC and thymidine through a cycloaddition. of $C_3$, $C_4$ bond of 5,6-DMC to $C_5$, $C_6$ bond of thymidine showed the most stable photocycloadduct to have the anti-head to tail configuration. The major photoadduct of 4,5',8-TMP-thymine has the cis-anti configuration.

• KSII Transactions on Internet and Information Systems (TIIS)
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• v.6 no.10
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• pp.2493-2508
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• 2012

The performance of a MIMO system with adaptive modulation (AM) and space-time coding over Ricean fading channels for perfect and imperfect channel state information (CSI) is presented. The fading gain value is partitioned into a number of regions by which the modulation is adapted according to the region the fading gain falls in. Under a target bit error rate (BER) constraint, the switching thresholds for AM are given. Based on these results, we derive the calculation formulae of the theoretical spectrum efficiency (SE) and average BER. As a result, closed-form SE expression and accurate BER expression are respectively obtained. Besides, using the approximation of complementary error function, a tightly closed-form approximation of average BER is also derived to simplify the calculation of accurate theoretical BER. Computer simulation shows that the theoretical SE and BER are in good agreement with the corresponding simulation, and the approximate BER is also close to the accurate one. The results show that the AM scheme in Ricean fading channel provides better SE than that in Rayleigh fading channel due to the direct-path propagation, and has performance degradation in SE and BER for imperfect CSI.

• Earthquakes and Structures
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• v.14 no.3
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• pp.241-248
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• 2018

To study the mechanical properties of joints in ancient timber buildings in depth, the force mechanism of the through-tenon joints was analyzed, also the theoretical formulas of the moment-rotation angles of the joints with different loosening degrees were deduced. To validate the rationality of the theoretical calculation formulas, six joint models with 1/3.2 scale ratio, including one intact joint and five loosening joints, were fabricated and tested under cyclic loading. The specimens underwent the elastic stage, the plastic stage and the destructive stage, respectively. At the same time, the moment-rotation backbone curves of the tenon joints with different looseness were obtained, and the theoretical calculation results were validated when compared with the experimental results. The results show that the rotational moment and the initial rotational stiffness of the tenon joints increase gradually with the increase of the friction coefficient. The increase of the tenon section height can effectively improve the bearing capacity of the through-tenon joints. As the friction coefficient of the wood and the insertion length of the tension increase, the embedment length goes up, whereas it decreases with the increase of section height. With the increase of the looseness, the bearing capacity of the joint is reduced gradually.

• Korean Journal of Materials Research
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• v.25 no.11
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• pp.642-646
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• 2015

Super alloys, which can be divided into three categories, i.e. Ni-base, Co-base, and Fe-base alloys, are widely used for high temperature applications. Since superalloys contain many alloying elements and precipitates, their chemistry and processing parameters need to be carefully designed. In this study, we designed a new Ni alloy to prevent corrosion due to water vapor and gases at high temperatures. The new alloy was designed using the theoretical value of the resulting energy electronic state calculation($DV-X{\alpha}$ method). The components that were finally used were Cr, Mo, and Ti, with Ni as a base. For these alloys, elements were selected in order to compare their values with that of the average theoretical basis for an Inconel 625 alloy. Finally, two kinds of Ni alloy were designed: Ni-28Cr-4Mo-2Ti and Ni-20Cr-10Mo-1Ti.

• Bulletin of the Korean Chemical Society
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• v.24 no.12
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• pp.1742-1750
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• 2003

In order to characterize the hydrophobic parameters of N-acetyl amino acid amides in 1-octanol/water, a theoretical calculation was carried out using a solvation free energy density model. The hydrophobicity parameters of the molecules are obtained with the consideration of the solvation free energy over the solvent volume surrounding the solute, using a grid model. Our method can account for the solvent accessible surface area of the molecules according to conformational variations. Through a comparison of the hydrophobicity of our calculation and that of other experimental/theoretical works, the solvation free energy density model is proven to be a useful tool for the evaluation of the hydrophobicity of amino acids and peptides. In order to evaluate the solvation free energy density model as a method of calculating the activity of drugs using the hydrophobicity of its building blocks, the contracture of Bradykinin potentiating pentapeptide was also predicted from the hydrophobicity of each residue. The solvation free energy density model can be used to employ descriptors for the prediction of peptide activities in drug discovery, as well as to calculate the hydrophobicity of amino acids.