• Title/Summary/Keyword: partial interaction

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Analysis of NO Formation in Nonpremixed Hydrogen-Air Flames Considering Turbulence-Chemistry Interaction (난류연소 모델링을 이용한 수소-공기 비예혼합 화염의 NOx 생성 분석)

  • Park, Y.H.;Moon, H.J.;Kim, S.Y.;Yoon, Y.;Jeong, I.S.
    • 한국연소학회:학술대회논문집
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    • 1999.10a
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    • pp.71-79
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    • 1999
  • Numerical analysis on the characteristics of nitrogen oxides (NOx) formation in turbulent nonpremixed hydrogen-air flames was carried out. Lagrange IEM model and Assumed PDF model were applied to consider turbulence-chemistry interaction known to affect the production of NOx. Partial equilibrium assumption was used to predict nonequilibrium effect to which one-half power dependence between EINOx normalized by flame residence time and global strain rate is attributed. As a result. such one-half power dependence could be reproduced only by reaction model including $HO_{2}$and $H_{2}O_{2}$, which means its dependence on Damkohler number; nonequilibrium effect. This dependence was shown better in the region of higher global strain. Besides, the improvement of turbulence model is required to predict mean flow properties quantitatively in the radial direction.

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Local response of W-shaped steel columns under blast loading

  • Lee, Kyungkoo;Kim, Taejin;Kim, Jinkoo
    • Structural Engineering and Mechanics
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    • v.31 no.1
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    • pp.25-38
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    • 2009
  • Local failure of a primary structural component induced by direct air-blast loading may be itself a critical damage and lead to the partial or full collapse of the building. As an extensive research to mitigate blast-induced hazards in steel frame structure, a state-of-art analytical approach or high-fidelity computational nonlinear continuum modeling using computational fluid dynamics was described in this paper. The capability of the approach to produce reasonable blast pressures on a steel wide-flange section column was first evaluated. Parametric studies were conducted to observe the effects of section sizes and boundary conditions on behavior and failure of columns in steel frame structures. This study shows that the analytical approach is reasonable and effective to understand the nature of blast wave and complex interaction between blast loading and steel column behavior.

MO Theoretical Studies on the Effect of Bond Angle Distortion in Pyrazine

  • Lee, Ik-Choon;Kim, Ho-Soon
    • Bulletin of the Korean Chemical Society
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    • v.5 no.2
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    • pp.68-73
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    • 1984
  • An enhancement of through-bond interaction by bond angle distortion in pyrazine was examined using various MO methods. Results of MINDO/3 geometry optimization with an angle (${\alpha}$) at $C_2$ atom fixed to 120∼90$^{\circ}$ lead to distorted structures in which the distorted bond is brought closer toward lone pair orbital n of N atom. It was also found that the bond angle distortion increased the P character at the atom $C_2$, resulting in an increased vicinal overlap between n and the $C_2-C_3$ bond. The FMO patterns of ${\sigma}$ framework showed three-fold degeneracy, one of which was of different symmetry which mixes in the symmetry adapted pair, $n_+\;and\;n_-;\;both\;n_+\;and\;n_-$ orbitals thus can interact with both FMOs of the ${\sigma}$ framework. The LCBO-MO analysis with partial elimination of bonds, antibonds or both, however, revealed that the main interaction of $n_+$ was with the HO-${\sigma}$ and that of $n_-$ was with the LU-${\sigma}^{\ast}$ orbital of the ${\sigma}$ framework.

A Method for Determining Molecular Weights of Block Copolymers by Gel Permeation Chromatography

  • Sohn, Jeong-In;Ree, Tai-Kyue
    • Bulletin of the Korean Chemical Society
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    • v.5 no.4
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    • pp.140-145
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    • 1984
  • A theory is given for determining the molecular weights of block copolymers from the experimental elution volume in GPC. Interaction effect between a sample of block copolymer and a column packing material as well as the size effect are separately considered for the first time applying the partial exclusion mechanism proposed by Dawkins. The molecular weight determination shows 6${\%}$ standard-deviation from the molecular weights measured by an osmometric method for eight block copolymers, which is much more improved result than other methods, e.g., the universal plot method (13 ${\%}$) and the Runyon's method (12 ${\%}$). The reason which explains the better result is that our theory takes into account the interaction effect correctly.

Configuration Interaction Theory and van der Waals Predissociation

  • 이천우
    • Bulletin of the Korean Chemical Society
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    • v.16 no.9
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    • pp.850-858
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    • 1995
  • Golden-rule like formulas have been used without theoretical basis to calculate the resonance lifetimes and final state distributions in the predissociation of van der Waals molecules. Here we present their theoretical basis by extending Fano's configuration interaction theory. Such extensions were independently done by Farnonux [Phys. Rev. 1985, 25, 287] but his work, unfortunately, was not well known outside some small group of people in the field of Auger spectroscopy. Since my extension is easier to understand than his, it is presented here. Theoretical basis of Golden rule like formulas used in the predissociation of van der Waals molecules was obtained by using such extensions. Factors responsible for several aspects of predissociation dynamics, such as variations of dynamics as functions of resonance lifetimes, or variations in shapes of final quantum state distributions of photofragments around resonances, were identified. Parameters, or dynamical information that could be obtained from the measurement of partial cross section spectra were accordingly determined. The theory was applied to the vibrational predissociation of triatomic van der Waals molecules and its result was compared with those calculated by close-coupling method. An example where Golden-rule like expression fails and branching ratios vary greatly around a resonance was considered.

The Effect of Urea on Volumetric and Viscometric Properties of Aqueous Solutions of Poly(ethylene oxide)

  • 전상일;백경구
    • Bulletin of the Korean Chemical Society
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    • v.19 no.11
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    • pp.1194-1198
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    • 1998
  • The density and the viscosity of aqueous PEO solutions are observed with the several concentrations of PEO at 20 ℃. The effects of urea on them are also observed. The apparent and the partial specific volumes of PEO are calculated from the density data, which result that the polymer-polymer interaction is dominating in the binary aqueous PEO solutions, while the polymer-solvent interaction is dominating in the ternary aqueous urea-PEO solutions. It is explained by the urea induced breakage of the structured water originated from the hydrophobic interactions and the binding of the urea to the PEO chain. The concentration dependence of relative viscosity and the density dependence of fluidity is also discussed with the concept of the polymersolvent and the polymer-polymer interactions of aqueous urea-PEO solutions.

Influence of granulated blast furnace slag as fine aggregate on properties of cement mortar

  • Patra, Rakesh Kumar;Mukharjee, Bibhuti Bhusan
    • Advances in concrete construction
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    • v.6 no.6
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    • pp.611-629
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    • 2018
  • The objective of present study is to investigate the effect of granulated blast furnace slag (GBS) as partial substitution of natural sand on behaviour of cement mortar. For this, the methods of factorial design with water cement (w/c) ratio and incorporation percentages of GBS as replacement of natural fine aggregate i.e., GBS(%) as factors are followed. The levels of factor w/c ratio are fixed at 0.4, 0.45, and 0.5 and the levels of factor GBS(%) are kept fixed as 0%, 20%, 40%, 60%, 80% and 100%. The compressive strength (CS) of mortar after 3, 7, 14, 28, 56 and 90 days, and water absorption (WA) are chosen as responses of the study. Analysis of variance (ANOVA) of experimental results has been carried out and those are illustrated by ANOVA tables, main effect and interaction plots. The results of study depict that the selected factors have substantial influence on the strength and WA of mortar. However, the interaction of factors has no substantial impact on CS and WA of mixes.

Geometrical Construction of the S Matrix and Multichannel Quantum Defect Theory for the two Open and One Closed Channel System

  • Lee, Chun-Woo
    • Bulletin of the Korean Chemical Society
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    • v.23 no.7
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    • pp.971-984
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    • 2002
  • The multichannel quantum defect theory (MQDT) is reformulated into the form of the configuration mixing (CM) method using the geometrical construction of the S matrix developed for the system involving two open and one closed channels. The reformulation is done by the phase renormalization method of Giusti-Suzor and Fano. The rather unconventional short-range reactance matrix K whose diagonal elements are not zero is obtained though the Lu-Fano plot becomes symmetrical. The reformulation of MQDT yields the partial cross section formulas analogous to Fano's resonance formula, which has not easily been available in other's work.

Theoretical Study on the Role of Water in Anesthesia

  • Hong, Seung-Do;Jhon, Mu-Shik
    • Bulletin of the Korean Chemical Society
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    • v.7 no.5
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    • pp.388-391
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    • 1986
  • There are lipid phase theories and aqueous phase theories among the theories of anesthesia. For water clusters induced by anesthetizing molecules, the interaction energies are calculated using an empirical potential function and correlated with the anesthetizing partial pressures for mice. A good agreement was obtained with the theory that the water clusters around anesthetics play an important role on the anesthetic actions.

Information Technology Usage to Improve the Perceived Quality of Healthcare Service

  • Vilivong, Chindavanh;Cho, Namjae
    • Journal of Information Technology Applications and Management
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    • v.21 no.2
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    • pp.31-48
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    • 2014
  • The concept of Health Related Quality of Life and its determinants have evolved since the 1980s. Although many researchers have published articles of technology usage in hospitals and the installation of technology based healthcare system, the research about applying the information technology to improve the patients' perceived quality of healthcare services is still limited. In general, services are deeds, processes and performances that are essentially concerns of the consumer. The healthcare service quality depends on tangible factors, such as equipments, facilities, and the quality of hospital staff and also the intangible ones. The main purpose of this work is to establish new model and find out the contribution of information technology to enhance the patients' perceived quality of healthcare service. We attempted to examine the main information technology related factors in 3 aspects, namely quality of information, the technology accessibility and the community that can improve patients' perceived quality of healthcare services. Offline and online questionnaires were used to measure the patients' perceived quality and were distributed to 384 people in 2 countries, Laos and South Korea. A principle component analysis and multiple regressions were used to verify our model. Results show that the use of information technology has partial positive effect on patient-physician interaction in both countries. However, patient knowledge and patient autonomy which are the 2 dimensions of patient-physician interaction has significant positive effect on patients' perceived quality of healthcare service.