• 제목/요약/키워드: intermolecular forces

검색결과 42건 처리시간 0.022초

Encapsulation Characteristics of Gas Molecules in the Cavities of Zeolite A

  • Jin Hyun Kwon;Kee Heon Cho;Hae Won Kim;Soong Hyuck Suh;Nam Ho Heo
    • Bulletin of the Korean Chemical Society
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    • 제14권5호
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    • pp.583-588
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    • 1993
  • Encapsulation capacities $(V_{gas})$ of, $H_2,\;N_2,\;CO,\;CH_4$ and CO, for $Cs_{2.5}Na_{9.5}-A (C_s-A)$ and $Na_{12}$-A (Na-A) zeolites have been measured in order to understand the effect of molecular properties on the $V_{gas}$. With appropriate number of large blocking cations on the main windows of cavities in zeolite A, gas molecules can be encapsulated in both the ${\alpha}$ -and ${\beta}$-cages, resulting in much large $V_{gas}.\;V_{gas}$ is proportional to the encapsulation pressure (Pe) and is also dependent on the molecular properties of encapsulated gases themselves, especially on intermolecular forces originated from the quadrupole moments of molecules in the molecular-dimensioned cavities of zeolite A. At the low range of Pe, molecules with larger $V_{gas}$ and intermolecular forces apparently have smaller increasing tendencies of $V_{gas}$ upon increases in Pe, showing a linear relationship between the tendencies and intermolecular forces rather than their sizes. Interactions between encapsulated molecules of $CH_4$ and framework of Cs-A have been estimated and they seem to depend on the number of encapsulated molecules per unit cell. On the basis of calculated density of $CO_2$, presence of liquid-like phase for the encapsulated molecules in the molecular dimensioned cavities of zeolite A is postulated.

FGM micro-gripper under electrostatic and intermolecular Van-der Waals forces using modified couple stress theory

  • Jahangiri, Reza;Jahangiri, Hadi;Khezerloo, Hamed
    • Steel and Composite Structures
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    • 제18권6호
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    • pp.1541-1555
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    • 2015
  • In this paper mechanical behavior of the functional gradient materials (FGM) micro-gripper under thermal load and DC voltage is numerically investigated taking into account the effect of intermolecular forces. In contrary to the similar previous works, which have been conducted for homogenous material, here, the FGM material has been implemented. It is assumed that the FGM micro-gripper is made of metal and ceramic and that material properties are changed continuously along the beam thickness according to a given function. The nonlinear governing equations of the static and dynamic deflection of microbeams have been derived using the coupled stress theory. The equations have been solved using the Galerkin based step-by-step linearization method (SSLM). The solution procedure has been evaluated against available data of literature showing good agreement. A parametric study has been conducted, focusing on the combined effects of important parameters included DC voltage, temperature variation, geometrical dimensions and ceramic volume concentration on the dynamic response and stability of the FGM micro-gripper.

전계인가법을 이용한 $\beta$-PVDF 증착 박막의 제조와 유전특성에 관한 연구 (A Study on the Preparation and Dielectric Characteristic of $\beta$-PVDF Vapor Deposited Thin Films by Applied Electric Field Method)

  • 박수홍;이덕출
    • 한국전기전자재료학회논문지
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    • 제11권3호
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    • pp.221-228
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    • 1998
  • In this study, the $\beta$-Polyvinylidene fluoride(PVDF) thin films were fabricated by physical vapor deposition method. Also, the properties of dielectric relaxation were studied to understand carrier's behavior of PVDF thin films, to be regarded as the excellent piezo and pyroelectricity. In the process of vapor deposition, the $\beta$-PVDF thin films have been fabricated under the condition of the substrate temperature at 3$0^{\circ}C$, the applied electric field at 142.8kV/cm and the pressure at 2.0${\times}10^{-5}$torr. The dielectric properties of PVDF have been studied in the frequency range 10Hz to 1MHz at temperature from 30 to $100^{\circ}C$. The relative dielectric constant of $\alpha$ and $\beta$-PVDF were 6.8 and 9.8, respectively, under a frequency of 1kHz. Such a phenomenon was caused by the decrease in intermolecular forces originated by the phase-transition from the TGTG' molecular conformation to the TT planar zig-zag conformation. And the relative dielectric constant is increased as a measuring temperature increases, because of the reduction of relaxation time caused by the decrease of intermolecular force.

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고분자를 이용한 자가치유 아스팔트에 관한 연구 (Study on Polymer-Modified Self-Healing Asphalt)

  • 양동근;유평준;홍영근
    • Elastomers and Composites
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    • 제49권2호
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    • pp.134-143
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    • 2014
  • 자가치유형 아스팔트를 구현하기 위하여 분자간결합력이 큰 고분자를 아스팔트에 투입시켰다. 사용된 고분자는 셜린, 나일론 및 폴리에스터이다. 이 고분자들은 가공온도가 $200^{\circ}C$를 넘어 고체상태로는 투입이 어려워 용액상태로 첨가하였다. 고분자가 첨가된 아스팔트들은 우수한 개질효과와 치유효과를 나타내었다. 인장강도에서 고분자개질아스팔트들은 고분자가 5% 투입되었으나 강도는 18%이상 증가하였다. 고분자와 아스팔트분자 간에 상호작용이 있는 것으로 보인다. 특히 셜린과의 분자간결합력이 가장 큰 것으로 보인다. 셜린은 아스팔트와 수소결합 및 아스팔트내에 존재하는 금속들과 이온결합을 할 것이다. 치유성에 있어서는 인장강도 면에서 셜린이 가장 높은 138%의 치유능을 나타내었으며 복합모듈러스 면에서는 폴리에스터가 141%의 치유능을, 충격강도 면에서는 나일론이 131%의 치유능을 보였다. 이는 치유능 해석에서 고분자의 분자간결합력도 중요 사항이지만 고분자와 아스팔트간의 상호작용 또한 중요한 고려 사항이 되어야함을 의미한다.

햅틱인터페이스를 이용한 나노스케일 가상표면에서의 나노리소그래피 (Nanolithography Using Haptic Interface in a Nanoscale Virtual Surface)

  • 김성관
    • 한국표면공학회지
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    • 제39권2호
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    • pp.64-69
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    • 2006
  • Nanoscale task such as nanolithography and nanoindenting is a challenging work that is beyond the capabilities of human sensing and precision. Since surface forces and intermolecular forces dominate over gravitational and other more intuitive forces of the macro world at the nanoscale, a user is not familiar with these novel nanoforce effects. In order to overcome this scaling barrier, haptic interfaces that consist of visual and force feedback at the macro world have been used with an Atomic Force Microscope (AFM) as a manipulator at the nanoscale. In this paper, a nanoscale virtual coupling (NSVC) concept is introduced and the relationship between performance and impedance scaling factors of velocity (or position) and force are explicitly represented. Experiments have been performed for nanoindenting and nanolithography with different materials in the nanoscale virtual surface. The interaction forces (non contact and contact nanoforces) between the AFM tip and the nano sample are transmitted to the operator through the haptic interface.

Pull-in instability of electrically actuated poly-SiGe graded micro-beams

  • Jia, Xiao L.;Zhang, Shi M.;Yang, Jie;Kitipornchai, Sritawat
    • Coupled systems mechanics
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    • 제2권3호
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    • pp.215-230
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    • 2013
  • This paper investigates the pull-in instability of functionally graded poly-SiGe micro-beams under the combined electrostatic and intermolecular forces and temperature change. The exponential distribution model and Voigt model are used to analyze the functionally graded materials (FGMs). Principle of virtual work is used to derive the nonlinear governing differential equation which is then solved using differential quadrature method (DQM). A parametric study is conducted to show the significant effects of material composition, geometric nonlinearity, temperature change and intermolecular Casimir force.

나노임프린트 리소그래피에서의 폴리머 레지스트의 변형에 관한 분자 동역학 시뮬레이션 (Molecular Dynamics Simulation of Deformation of Polymer Resist in Nanoimpirnt Lithography)

  • 김광섭;김경웅;강지훈
    • 대한기계학회논문집A
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    • 제29권6호
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    • pp.852-859
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    • 2005
  • Molecular dynamics simulations of nanoimprint lithography in which a stamp with patterns is pressed onto amorphous poly-(methylmethacrylate) (PMMA) surface are performed to study the deformation of polymer. Force fields including bond, angle, torsion, inversion, van der Waals and electrostatic potential are used to describe the intermolecular and intramolecular force of PMMA molecules and stamp. Periodic boundary condition is used in horizontal direction and Nose-Hoover thermostat is used to control the system temperature. As the simulation results, the adhesion forces between stamp and polymer are calculated and the mechanism of deformation are investigated. The effects of the adhesion and friction forces on the polymer deformation are also studied to analyze the pattern transfer in nanoimprint lithography. The mechanism of polymer deformation is investigated by means of inspecting the indentation process, molecular configurational properties, and molecular configurational energies.

2-Methyl-3-(N-trimethyl ammonium)phenol Iodide의 결정 구조 (The Crystal Structure of 2-Methyl-3-(N-trimethyl ammonium)phenol Iodide)

  • 조성일;윤혜숙;구정회
    • 약학회지
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    • 제24권2호
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    • pp.135-141
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    • 1980
  • The crystal and molecular structure of 2-methyl-3-(N-trimethyl ammonium)phenol iodide, $C_{10}H_{16}NOI, was determined by X-ray diffraction method. The compound crystallizes in the orthorhombic space group $P_{na2}_{1}$ with a=13.327(3), b=12.496(3), C=7.227(2)A and Z=4. A total of 489 independent observed reflections were collected by the automated Four-circle diffractometer and was solved by heavy atom method and refined by anisotropic block-diagonal least-squares method to the R value of 0.04. The benzene ring is slightly distorted from regular hexagon. The I atom and 2-methyl-3-(N-trimethyl ammonium)phenol group is held together by van der Waals forces in the crystal. Intermolecular hydrogen bond is of the type O-H....I with the length 3.35.angs.. Apart from the hydrogen bonding system the molecules are held together by van der Waals forces in the crystal.

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구리박막에서 수은 클러스터의 충돌거동에 대한 분자동역학적 연구 (Molecular Dynamics Study on Collision Behaviors of Cluster of Mercury on Thin-Film of Copper)

  • 정흥철;고선미;최경민;김덕줄
    • 대한기계학회:학술대회논문집
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    • 대한기계학회 2007년도 춘계학술대회B
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    • pp.2678-2683
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    • 2007
  • The interaction between metal molecules and liquid metal molecules was modeled in the molecular scale and simulated by the molecular dynamics method in order to understand behaviors of the cluster on metallic surface in collision process. Lennard-Jones potential had been used as intermolecular potential, and only attraction 때 d repulsion had been used for the behavior of the cluster on the metal surface. As results, the behavior of the cluster was so much influenced by the cluster of liquid metal temperature and function of molecules forces, such as attraction and repulsion, in the collision progress. These results of simulation will be the foundation for the micro fabrication manufacturing by using spray application technology.

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