• Title/Summary/Keyword: surface-consistent

Search Result 697, Processing Time 0.025 seconds

Activity Coefficients and Coulombic Correction Factor for Surface Complexation Modeling

  • Rhee, In-Hyoung
    • Journal of the Korea Academia-Industrial cooperation Society
    • /
    • v.3 no.2
    • /
    • pp.146-155
    • /
    • 2002
  • Surface complexation models employ mass law equations to describe the reaction of surface functional groups with ions in the solution and also Gouy-Chapman theory to consider the electrostatic effects in the surface reactions. In current surface complexation models, however, the coulombic factors used are not wholly consistent with the Gouy-Chapman model of the surface. This study was to provide the derivation of the coulombic term usually employed and then a revised coulombic term completely consistent with Gouy-Chapman Theory. The electrical potential energy. zF${\psi}$, in current surface complexation models is not consistent with the Gouy-Chapman theory with the potential gradient close to the charged surface but with the Donnan model with the uniform potential. Even though the new coulombic factor yielded lower surface potential, it provided worse fits for acid-base titration data of the goethite suspensions.

  • PDF

A Theoretical Study of CO Molecules on Metal Surfaces: Coverage Dependent Properties

  • Sang -H. Park;Hojing Kim
    • Bulletin of the Korean Chemical Society
    • /
    • v.12 no.5
    • /
    • pp.574-582
    • /
    • 1991
  • The CO molecules adsorbed on Ni(111) surface is studied in the cluster approximation employing EH method with self-consistent charge iteration. The effect of CO coverage is simulated by allowing the variation of valence state ionization potentials of each Ni atom in model cluster according to the self-consistent charge iteration method. The CO coverage dependent C-O stretching frequency shift, adsorption site conversion, and metal work function change are attributed to the charge transfer between metal surface and adsorbate. For CO/Ni(111) system, net charge transfer from Ni surface to chemisorbed CO molecules makes surface Ni atoms be more positive with increasing coverage, and lowers Ni surface valence band. This leads to a weaker interaction between metal surface valence band and Co $2{\pi}^{\ast}$ MO, less charge transfer to a single CO molecule, and the bule shift of C-O stretching frequency. Further increase of coverage induces the conversion of 3-fold site CO to lower coordination site CO as well as the blue shift of C-O stretching frequency. This whole process is accompanied by the continuous increase of metal work function.

Automated Surface Wave Measurements for Evaluating the Depth of Surface-Breaking Cracks in Concrete

  • Kee, Seong-Hoon;Nam, Boohyun
    • International Journal of Concrete Structures and Materials
    • /
    • v.9 no.3
    • /
    • pp.307-321
    • /
    • 2015
  • The primary objective of this study is to investigate the feasibility of an innovative surface-mount sensor, made of a piezoelectric disc (PZT sensor), as a consistent source for surface wave velocity and transmission measurements in concrete structures. To this end, one concrete slab with lateral dimensions of 1500 by 1500 mm and a thickness of 200 mm was prepared in the laboratory. The concrete slab had a notch-type, surface-breaking crack at its center, with depths increasing from 0 to 100 mm at stepwise intervals of 10 mm. A PZT sensor was attached to the concrete surface and used to generate incident surface waves for surface wave measurements. Two accelerometers were used to measure the surface waves. Signals generated by the PZT sensors show a broad bandwidth with a center frequency around 40 kHz, and very good signal consistency in the frequency range from 0 to 100 kHz. Furthermore, repeatability of the surface wave velocity and transmission measurements is significantly improved compared to that obtained using manual impact sources. In addition, the PZT sensors are demonstrated to be effective for monitoring an actual surface-breaking crack in a concrete beam specimen subjected to various external loadings (compressive and flexural loading with stepwise increases). The findings in this study demonstrate that the surface mount sensor has great potential as a consistent source for surface wave velocity and transmission measurements for automated health monitoring of concrete structures.

A self-consistent model for the formation and eruption of a solar prominence

  • Magara, Tetsuya
    • The Bulletin of The Korean Astronomical Society
    • /
    • v.46 no.2
    • /
    • pp.47.2-47.2
    • /
    • 2021
  • The present study is focused on origins of the flow and magnetic structure involved in the formation and eruption of a solar prominence. To clarify them, we performed an MHD simulation based on the 3-dimensional emerging flux tube (3DEFT) model, in which self-consistent evolution of a flow and magnetic field passing freely through the solar surface was obtained by seamlessly connecting subsurface dynamics with surface dynamics. By analyzing Lagrangian displacements of magnetized plasma elements, we demonstrate the flow structure which is naturally incorporated to the magnetic structure of the prominence formed via dynamic interaction between the flow and magnetic field.

  • PDF

Nondestructive Characterization of Materials Using Laser-Generated Ultrasound

  • Park, Sang-Woo;Lee, Joon-Hyun
    • International Journal of Reliability and Applications
    • /
    • v.5 no.1
    • /
    • pp.1-13
    • /
    • 2004
  • It is recently well recognized that the technique for the one-sided stress wave velocity measurement in structural materials provides measurement in structural materials provides valuable information on the state of the material such as quality, uniformity, location of cracked or damaged area. This technique is especially effective to measure velocities of longitudinal and Rayleigh waves when access to only one surface of structure is possible. However, one of problems for one-sided stress wave velocity measurement is to get consistent and reliable source for the generation of elastic wave. In this study, the laser based surface elastic wave was used to provide consistent and reliable source for the generation of elastic wave into the materials. The velocities of creeping wave and Rayleigh wave in materials were measured by the one-sided technique using laser based surface elastic wave. These wave velocities were compared with bulk wave velocities such as longitudinal wave and shear wave velocities to certify accuracy of measurement. In addition, the mechanical properties such as poisson's ratio and specific modulus(E/p) were calculated with the velocities of surface elastic waves.

  • PDF

Concentric-Circle-Grating Surface Emitting (CCGSE)-DFB Laser with second order grating (Second order grating CCGSE-DFB 레이저 해석)

  • 박해령;김효창;이연호
    • Proceedings of the IEEK Conference
    • /
    • 2000.11b
    • /
    • pp.313-316
    • /
    • 2000
  • Concentric-Circle-Grating (CCG) cavity is analyzed by coupled mode theory. In this case concentric grating is acting as both feedback element and output coupler. In our calculations radiation loss terms are included in guided coupled mode equations. The surface-emitted field distribution is obtained in self-consistent manner.

  • PDF

APPLICATION OF MERGED MICROWAVE GEOPHYSICAL OCEAN PRODUCTS TO CLIMATE RESEARCH AND NEAR-REAL-TIME ANALYSIS

  • Wentz, Frank J.;Kim, Seung-Bum;Smith, Deborah K.;Gentemann, Chelle
    • Proceedings of the KSRS Conference
    • /
    • v.1
    • /
    • pp.150-152
    • /
    • 2006
  • The DISCOVER Project (${\underline{D}}istributed$ ${\underline{I}}nformation$ ${\underline{S}}ervices$ for ${\underline{C}}limate$ and ${\underline{O}}cean$ products and ${\underline{V}}isualizations$ for ${\underline{E}}arth$ ${\underline{R}}esearch$) is a NASA funded Earth Science REASoN project that strives to provide highly accurate, carefully calibrated, long-term climate data records and near-real-time ocean products suitable for the most demanding Earth research applications via easy-to-use display and data access tools. A key element of DISCOVER is the merging of data from the multiple sensors on multiple platforms into geophysical data sets consistent in both time and space. The project is a follow-on to the SSM/I Pathfinder and Passive Microwave ESIP projects which pioneered the simultaneous retrieval of sea surface temperature, surface wind speed, columnar water vapor, cloud liquid water content, and rain rate from SSM/I and TMI observations. The ocean products available through DISCOVER are derived from multi-sensor observations combined into daily products and a consistent multi-decadal climate time series. The DISCOVER team has a strong track record in identifying and removing unexpected sources of systematic error in radiometric measurements, including misspecification of SSM/I pointing geometry, the slightly emissive TMI antenna, and problems with the hot calibration source on AMSR-E. This in-depth experience with inter-calibration is absolutely essential for achieving our objective of merging multi-sensor observations into consistent data sets. Extreme care in satellite inter-calibration and commonality of geophysical algorithms is applied to all sensors. This presentation will introduce the DISCOVER products currently available from the web site, http://www.discover-earth.org and provide examples of the scientific application of both the diurnally corrected optimally interpolated global sea surface temperature product and the 4x-daily global microwave water vapor product.

  • PDF

Influence of Intermolecular Interactions on the Structure of Copper Phthalocyanine Layers on Passivated Semiconductor Surfaces

  • Yim, Sang-Gyu;Jones, Tim S.
    • Bulletin of the Korean Chemical Society
    • /
    • v.31 no.8
    • /
    • pp.2247-2254
    • /
    • 2010
  • The surface structures of copper phthalocyanine (CuPc) thin films deposited on sulphur-passivated and plane perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA)-covered InAs(100) surfaces have been studied by low energy electron diffraction (LEED) and van der Waals (vdW) intermolecular interaction energy calculations. The annealing to $300^{\circ}C$ and $450^{\circ}C$ of $(NH_4)_2S_x$-treated InAs(100) substrates produces a ($1{\times}1$) and ($2{\times}1$) S-passivated surface respectively. The CuPc deposition onto the PTCDA-covered InAs(100) surface leads to a ring-like diffraction pattern, indicating that the 2D ordered overlayer exists and the structure is dominantly determined by the intermolecular interactions rather than substrate-molecule interactions. However, no ordered LEED patterns were observed for the CuPc on S-passivated InAs(100) surface. The intermolecular interaction energy calculations have been carried out to rationalise this structural difference. In the case of CuPc unit cells on PTCDA layer, the planar layered CuPc structure is more stable than the $\alpha$-herringbone structure, consistent with the experimental LEED results. For CuPc unit cells on a S-($1{\times}1$) layer, however, the $\alpha$-herringbone structure is more stable than the planar layered structure, consistent with the absence of diffraction pattern. The results show that the lattice structure during the initial stages of thin film growth is influenced strongly by the intermolecular interactions at the interface.

A Green's-Matrix Approach to Chemisorption

  • Jang, Yun-Hee;Kim, Ho-Jing
    • Bulletin of the Korean Chemical Society
    • /
    • v.14 no.2
    • /
    • pp.238-243
    • /
    • 1993
  • A self-consistent-field Green's matrix method for the calculation of electronic properties of chemisorbed system is devised and applied to the methanol on copper(110) surface. The method is based on CNDO Hartree-Fock approximation. Contour integration in the complex energy plane is used for an efficient calculation of the charge-density bond-order matrix. The information on each fragment prior to chemisorption is efficiently used and a small number of iterations are needed to reach the self-consistency. The changes of density of states and other quantities of methanol due to chemisorption are consistent with reported experimental results.