• 제목/요약/키워드: water dynamics

검색결과 1,360건 처리시간 0.027초

A Study of a Hydrophobic Surface: Comparing Pure Water and Contaminated Water

  • Ambrosia, Matthew Stanley;Lee, Chang-Han
    • 한국환경과학회지
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    • 제22권4호
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    • pp.407-413
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    • 2013
  • The flow of sewage has been studied for hundreds of years. Reducing drag in pipes can allow sewer to be removed easily and quickly. Drag reduction is not only a macroscale issue. Physical and chemical properties of the nano-scale can affect flow at the macroscopic scale. In this paper the predictability of hydrophobicity at the nano-scale is studied. Molecular dynamics simulations were used to calculate the range of contact angles of water droplets in equilibrium on a pillared graphite surface. It was found that at a pillar height of two graphite layers there was the largest range of contact angles. It is observed that at this height the droplet begins to transition from the Wenzel state to the Cassie-Baxter state. Surfaces with larger pillar heights have much larger contact angles corresponding to a more hydrophobic surface. Silicon dioxide was also simulated in the water droplet. The contaminant slight decreased the contact angle of the water droplet.

Molecular dynamics simulation of short peptide in DPC micelle using explicit water solvent parameters

  • Kim, Ji-Hun;Yi, Jong-Jae;Won, Hyung-Sik;Son, Woo Sung
    • 한국자기공명학회논문지
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    • 제22권4호
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    • pp.139-143
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    • 2018
  • Short antimicrobial peptide, A4W, have been studied by molecular dynamics (MD) simulation in an explicit dodecylphosphocholine (DPC) micelle. Peptide was aligned with DPC micelle and transferred new peptide-micelle coordinates within the same solvent box using specific micelle topology parameters. After initial energy minimization and equilibration, the conformation and orientation of the peptide were analyzed from trajectories obtained from the RMD (restrained molecular dynamics) or the subsequent free MD. Also, the information of solvation in the backbone and the side chain of the peptide, hydrogen bonding, and the properties of the dynamics were obtained. The results showed that the backbone residues of peptide are either solvated using water or in other case, they relate to hydrogen bonding. These properties could be a critical factor against the insertion mode of interaction. Most of the peptide-micelle interactions come from the hydrophobic interaction between the side chains of peptide and the structural interior of micelle system. The interaction of peptide-micelle, electrostatic potential and hydrogen bonding, between the terminal residues of peptide and the headgroups in micelle were observed. These interactions could be effect on the structure and flexibility of the peptide terminus.

3차원 수리 모델을 이용한 영산강 수질오염물질의 수체 내 거동 특성 분석 (Analysis of Behavior Characteristics of Water Pollutants in Yeongsan River Using 3D Hydraulic Model)

  • 오혜연;김은정;최정현
    • 한국물환경학회지
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    • 제39권6호
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    • pp.439-450
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    • 2023
  • The Yeongsan River, a major water resource for Jeollanam-do, that is adjacent to industrial complexes and agricultural areas, is exposed to water pollution. Therefore, it is necessary to investigate the impact of water pollution incidences and prepare response systems for river environment safety for other water resources in the future. Environmental Fluid Dynamics Code (EFDC) was applied to the mainstream of the Yeongsan River where residential, commercial, and agricultural areas are located to analyze the behavior of pollutants conducting the scenario analysis. Considering the pollutants that affected the study area, two pollutants, oil and benzene, with different physical and chemical characteristics were selected for the analysis. As a result of comparing the actual and simulated values of the water elevation, temperature, and flow rate, it was confirmed that the model adequately reproduced the hydraulic characteristics of the Yeongsan River. The oil flow dynamics showed that an increase in flow rate led to reduction in the maximum height of the slick. Notably, the behavior of the oil was predominantly influenced by the wind conditions. In the case of benzene, lower flow scenarios exhibited decreased arrival times and residence times accompanied by an elevation in the maximum concentration levels. From the results of pollutant behavior in the study area, it is feasible to utilize the section of tributary confluence for collection and the weir area for dilution. This study enhances the understanding of the pollutant's behavior with different characteristics and develops effective control systems tailored to the physicochemical attributes of pollutants.

원격탐사자료를 이용한 시⋅공간적으로 분포되어 있는 토양수분산정 및 가뭄평가:(I) 토양수분 (Soil Moisture Estimation and Drought Assessment at the Spatio-Temporal Scales using Remotely Sensed Data: (I) Soil Moisture)

  • 신용철;최경숙;정영훈;양재의;임경재
    • 한국물환경학회지
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    • 제32권1호
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    • pp.60-69
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    • 2016
  • In this study, we estimated root zone soil moisture dynamics using remotely sensed (RS) data. A soil moisture data assimilation scheme was used to derive the soil and root parameters from MODerate resolution Imaging Spectroradiometer (MODIS) data. Based on the estimated soil/root parameters and weather forcings, soil moisture dynamics were simulated at spatio-temporal scales based on a hydrological model. For calibration/validation, the Little Washita (LW13) in Oklahoma and Chungmi-cheon/Seolma-cheon sites were selected. The derived water retention curves matched the observations at LW 13. Also, the simulated soil moisture dynamics at these sites was in agreement with the Time Domain Reflectrometry (TDR)-based measurements. To test the applicability of this approach at ungauged regions, the soil/root parameters at the pixel where the Seolma-cheon site is located were derived from the calibrated MODIS-based (Chungmi-cheon) soil moisture data. Then, the simulated soil moisture was validated using the measurements at the Seolma-cheon site. The results were slightly overestimated compared to the measurements, but these findings support the applicability of this proposed approach in ungauged regions with predictable uncertainties. These findings showed the potential of this approach in Korea. Thus, this proposed approach can be used to assess root zone soil moisture dynamics at spatio-temporal scales across Korea, which comprises mountainous regions with dense forest.