• Corrosion Science and Technology
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• v.21 no.1
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• pp.21-31
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• 2022

Potentiodynamic polarization, EIS measurements, quantum chemical calculations, and molecular dynamic simulations were used to investigate the corrosion behavior of mild steel in 0.5 M aqueous hydrochloric acid medium in the presence or absence of nystatin drug. Potentiodynamic tests suggested that this molecule could act as a mixed inhibitor due to its adsorption on the mild steel surface. The objective of this study was to exploit theoretical calculations to gain a better understanding mechanism of inhibition. Calculating the adsorption behavior of the investigated molecule on Fe (1 1 0) surface was accomplished using Monte Carlo simulation. Molecules were also investigated using Density Functional Theory (DFT), specifically PBE functional, in order to identify the link between molecular structure and corrosion inhibition behavior of the compound under investigation. Adsorption energies between nystatin and iron were estimated more accurately by utilizing Molecular Mechanics calculation with Periodic Boundary Conditions (PBC). Estimated theoretical parameters significantly assisted our understanding of the corrosion inhibition mechanism exhibited by this molecule. They were found to be in accord with experimental results.

• Journal of the Korean Chemical Society
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• v.55 no.3
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• pp.354-363
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• 2011

Quantum-chemistry study was explored to investigate the electronic structures, absorption and phosphorescence mechanism, as well as electroluminescence (EL) properties of three red-emitting Ir(III) complexes, $(fpmqx)_2Ir$(L) {fpmqx=2-(4-fluorophenyl)-3-methyl-quinoxaline; L=triazolylpyridine (trz) (1); L=picolinate (pic) (2) and L=acetylacetonate (acac) (3)}. The calculated results show that the HOMO distribution for 1 is mainly localized on trz moiety due to its stronger ${\pi}$-electron acceptor ability, and HOMO for 2 and 3 is the combination of Ir d- and phenyl ring ${\pi}$-orbital. The higher phosphorescence yields and differences among 1-3 are investigated in this paper. In addition, the reasons of higher EL efficiency of 2 than 1 and 3 have been rationalized.

• Proceedings of the Optical Society of Korea Conference
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• 2009.02a
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• pp.397-398
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• 2009

• 제어로봇시스템학회:학술대회논문집
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• 1992.10b
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• pp.7-10
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• 1992

This lecture is about an investigation into a desired property of fuzzy systems when degrees of uncertainty involved are uncertain. We characterize the robustness of fuzzy logic operators by their moduli of continuity. Theoretical results for design methodology are presented and a case study is discussed.

• Proceedings of the Optical Society of Korea Conference
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• 1999.08a
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• pp.116-117
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• 1999

Optical fiber networks for microwave signal processing have been investigation . Theoretical and experimental results are presented in Z-shaped Double-Coupler Optical Resonator. The use of Mason's rule to calculate transfer functions greatly simplified the analysis in our model. A good comparison between modelling and experiment is presented.

• Proceedings of the Optical Society of Korea Conference
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• 2004.02a
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• pp.234-235
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• 2004

• Bulletin of the Korean Chemical Society
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• v.34 no.5
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• pp.1551-1554
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• 2013

• Proceedings of the Korean Nuclear Society Conference
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• 2005.10a
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• pp.97-98
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• 2005

• Proceedings of the Korean Geotechical Society Conference
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• 2008.10a
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• pp.1318-1327
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• 2008

Geotechnical sites in urban areas may have embedded structures such as utility lines and underground concrete structures, which cause difficulties in site investigation. This study is a preliminary research to establish knowledge base for developing an optimal technique for site investigation in urban areas. Surface-wave method and resistivity survey, which are frequently adopted for non-destructive site-investigation for geotechnical sites, were investigated to characterize effects of adjacent structures. In case of surface wave method, patterns of wave propagation were investigated for typical sets of multi-layered geotechnical profiles by numerical simulation based on forward modeling theory and field experiments for small-size model tests and real-scale tests in the field. In case of resistivity survey, 3-D finite element analyses and field tests were performed to investigate effects of adjacent concrete structures. These theoretical and experimental researches for surface-wave method and resistivity survey resulted in establishing physical criteria to cause interference of adjacent structures in site investigation at urban areas.

• Journal of the Korea Safety Management & Science
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• v.19 no.3
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• pp.11-17
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• 2017

The study seeks to cooperate with the investigation of a fire investigation based on public-private partnership. Fire protection systems provide a wide variety of viewpoints from the perspectives of design, construction, management, maintenance, maintenance and maintenance systems at a particular point in time, construction, management, and maintenance systems. What is controversial is that there are illegal activities such as illegal activities of the Patent Office, misconduct of construction work and unreasonable construction of construction works.As a theoretical framework, the present study identified the four key elements of a successful disaster response system : responsiveness, control, professionalism, and bias.