• 분석과학
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• 제6권4호
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• pp.383-390
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• 1993

지방족 카르복실산류, 방향족화합물류 및 알킬벤젠류에 대하여 역상 HPLC에서의 용출예측 방법을 검토하였다. 용출 파라미터로서 분자 크기를 나타내는 Van der Waasls 부피와 log k'와의 상관성을 검토한 결과, 양호한 직선성을 얻을 수 있었다. 용리액의 조성을 변화시키면서 또는 분리컬럼 온도를 변화시키면서 지방족 카르복실산류, 방향족화합물류 및 알킬벤젠류에 대하여 검토한 결과, acetonitrile이 log k'와 Van der Waals 부피와의 상관성이 가장 좋았다. 본 방법을 이용하여 역상 HPLC system에서 Van der Waasls 부피가 40~250 사이의 유기화합물들의 용출을 예측할 수 있었다. 각 용매의 용출력 세기는 methanol

• EDISON SW 활용 경진대회 논문집
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• 제4회(2015년)
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• pp.400-404
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• 2015

2차원 물질인 metal mono chalcogenides(MMC) 중 GaS와 GaSe를 대상으로 하여 층과 층 사이의 van der Waals(vdW) 상호작용을 density functional theory(DFT) 계산을 이용해 연구하였다. Local density approximation(LDA)와 generalized gradient approximation (GGA)의 두 가지 다른 exchange correlation functional을 이용하고, 또한 두 개의 층 사이에 작용하는 van der Waals 상호작용을 고려한 LDA-D2, GGA-D2 계산을 수행하였다. 이와 같은 네 가지 방법으로 층간거리를 바꾸어 binding energy curve를 계산하였다. 그 결과 GGA-D2계산이 MMC의 층간 상호 작용을 가장 잘 기술하였다.

• 한국소음진동공학회논문집
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• 제20권4호
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• pp.390-396
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• 2010

Resonant frequencies and the associated vibrational modes of multiwall carbon nanotubes are studied in this paper. The analysis is based on a multiple-elastic beam model, considering intertube radial displacements and the related internal degrees of freedom. Especially, van der Waals interaction is modified considering both all interaction between each layers in multi-wall carbon nanotubes and curvature effect. The results show that modified van der Waals interaction could significantly affect the natural frequencies of multi-walled carbon nanotubes. In particular, non-coaxial intertube resonance will be excited at the higher resonant frequencies of multiwall carbon nanotubes.

• Bulletin of the Korean Chemical Society
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• 제16권9호
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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.

• Tribology and Lubricants
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• 제31권6호
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• pp.264-271
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• 2015

Adhesion force of nanomaterials such as nanoparticle, nanowire, and nanorods should be significantly considered for its mechanical applications. However, examination of the adhesion force is limited since it is technically challenging to carry out experiments with such small objects. Therefore, in this work, molecular dynamics simulation (MDS) was conducted to determine the adhesion force between a nanowire and a flat surface, which could not be readily assessed through experiments. The adhesion force of a cylindrical-shaped nanowire was assessed by performing MDS and applying an equation of Van der Waals interaction. Simulation was conducted in two steps: indentation of a spherical tip on the flat surface and indentation of a cylinder on the flat surface, because the purpose of the simulation was comparing the results of the simulation and calculation of the Van der Waals interaction equation. From the simulation, Hamaker constant used for the equation of Van der Waals interaction was determined to be 2.93 °ø 10?18 J. Using this constant, the adhesion force of the nanowire on the flat surface was readily estimated by calculating Van der Waals equation to be approximately 65~89 nN with respect to the diameter of the nanowire. Moreover, the adhesion force of the nanowire was determined to be 52~77 nN from the simulation It was observed that there was a slight discrepancy (approximately 15~25%) between the results of the simulation and the theoretical calculation. Thus, it was confirmed that the calculation of Van der Waals interaction could be utilized to assess the adhesion force of the nanowire.

• 접착 및 계면
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• 제24권3호
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• pp.100-104
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• 2023

본 Van der Waals heterostructure 기반의 트랜지스터의 경우 표면에 불포화 결함(dangling bond) 없이 Van der Waals 힘으로만 결합되어 있어 우수한 전자특성을 보이기 때문에 최근 많이 연구되고 있다. 하지만, 트랜지스터에 사용되는 2차원 물질들은 대부분 스카치테이프(mechanical exfoliation) 방법을 기반으로 하는 기초 연구에 머물러 있다. 그렇기 때문에 이를 발전시키기 위해 반데르발스 수직이종접합 전계효과 트랜지스터를 제작하는 데 사용되는 모든 소재를 CVD (chemical vapor deposition)에서 성장된 소재를 사용하였다. 전극으로는 CVD로 성장된 그래핀을 포토리소그래피 공정을 통해 패터닝하여 사용하였으며, CVD로 성장된 MoSe₂를 픽업/전사하는 방식으로, 둘 사이의 반데르발스 이종접합 전계효과 트랜지스터를 제작하였다. 본 연구에서는 이를 통해 제작된 소자의 특성을 보았으며 MoSe₂의 결함 유무에 따라 트랜지스터의 특성에 변화가 있음을 확인하였다.

• 공업화학
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• 제7권4호
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• pp.809-812
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• 1996

일반화된 van der Waals류의 3차 상태방정식에 사용되는 인력 및 반발력 상수항을 온도의존 함수로 나타내는 core-softening 이론을 도입하여 van der Waals 유체의 비이상적 열팽창, 즉 밀도 비이상성을 설명하였다. 온도의존 함수로는 온도의 증가에 따라 hard-core의 직경피 줄어드는 $db_r/dT_r<0$을 만족하는 형태와, 분자간의 반발력이 강해지는 $da_r/dT_r>0$을 만족하는 식을 사용하였다. 온도에 따른 밀도 최대점은 전자의 경우 전 범위의 압력하에서 나타났으며 후자의 경우 유체에 장력(tension)이 가해질때만 존재하였다.

• 한국윤활학회:학술대회논문집
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• 한국윤활학회 2002년도 proceedings of the second asia international conference on tribology
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• pp.63-64
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• 2002

In a micro-scale contact, surface forces such as capillary force and van der Waals Interaction significantly Influence the contact between asperities of rough surfaces. Little is, however, known about the variation of these surface forces as a function of chemical property of the surface (hydrophilicity), relative humidity and deformation of asperities In the real area of contact. A better understanding of these surface forces is of great necessity in order to find an optimal solution for reducing friction and adhesion of micro surfaces. We proposed an effective method to analyze capillary and van der Waals forces In nano-scale contact. In this method, Winklerian foundation model was employed to analyze the contact of rough surfaces that were obtained from atomic force microscopy (AFM) height Images. Self-mated contact of diamond-like-carbon (DLC) coatings was analyzed, as an example, by the proposed model. It was shown that the capillary force was significantly influenced by relative humidify and wet angle of the DLC surface. The deformation of asperities to a critical magnitude by external loading led to a considerable increase of both capillary and van der Waals forces.

• Bulletin of the Korean Chemical Society
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• 제23권2호
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• pp.195-200
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• 2002

Fluorescence excitation spectrum of the trans.trans-1,3,5,7-octatetraene(OT)-Xe van der Waals clusters formed in supersonic jet expansions has been obtained. The transition lines corresponding to the van der Waals cluters of OT with Xe are observed in the lower frequency side of the OT band origin. Based on the spectral shifts, fluorescence lifetimes, and concentration dependence of the peak intensities, most of the transition lines are assigned to the $OT-Xe_n$ (n = 1, 2, 3, 4) clusters. Long progressions of a van der Waals vibrational mode are observed for n = 1, 2, 3 and 4 clusters and assigned to rocking of the OT moiety with respect to the Xe atom with the help of ab initio quantum mechanical calculation.

• 대한기계학회논문집A
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• 제26권10호
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• pp.2180-2186
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• 2002

In a micro-scale contact, capillary force and van der Waals interaction significantly influence the contact between asperities of rough surfaces. Little is, however, known about the variation of these surface forces as a function of chemical property of the surface (wet angle), relative humidity and deformation of asperities in the real area of contact. A better understanding of these surface forces is of great necessity in order to find a solution for reducing friction and adhesion of micro surfaces. The objective of this study is to investigate the surface forces in micro-scale rough surface contact. We proposed an effective method to analyze capillary and van der Waals forces in micro-scale contact. In this method, Winkler spring model was employed to analyze the contact of rough surfaces that were obtained from atomic force microscopy (AFM) height images. Self-mated contact of DLC(diamond like carbon) coatings was analyzed, as an example, by the proposed model. It was shown that the capillary force was significantly influenced by relative humidity and wet angle of the DLC surface. The deformation of asperities to a critical magnitude by external loading led to a considerable increase of both capillary and van der Waals forces.