• Title/Summary/Keyword: motion of molecules

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Experimental studies on the axisymmetric sphere-wall interaction in Newtonian and non-Newtonian fluids

  • Lee, Sang-Wang;Sohn, Sun-Mo;Ryu, Seung-Hee;Kim, Chongyoup;Song, Ki-Won
    • Korea-Australia Rheology Journal
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    • v.13 no.3
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    • pp.141-148
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    • 2001
  • In this research, experimental studies leave been performed on the hydrodynamic interaction between a spherical particle and a plane wall by measuring the force between the particle and wall. To approach the system as a resistance problem, a servo-driving system was set-up by assembling a microstepping motor, a ball screw and a linear motion guide for the particle motion. Glycerin and dilute solution of polyacrylamide in glycerin were used as Newtonian and non-Newtonian fluids, respectively. The polymer solution behaves like a Boger fluid when the concentration is 1,000 ppm or less. The experimental results were compared with the asymptotic solution of Stokes equation. The result shows that fluid inertia plays all important role in the particle-wall interaction in Newtonian fluid. This implies that the motion of two particles in suspension is not reversible even in Newtonian fluid. In non-Newtonian fluid, normal stress difference and viscoelasticity play important roles as expected. In the dilute solution weak shear thinning and the migration of polymer molecules in the inhomogeneous flow field also affect the physic of the problem.

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The Analytic Gradient with a Reduced Molecular Orbital Space for the Equation-of-Motion Coupled-Cluster Theory: Systematic Study of the Magnitudes and Trends in Simple Molecules

  • Baek, Gyeong Gi;Jeon, Sang Il
    • Bulletin of the Korean Chemical Society
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    • v.21 no.7
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    • pp.720-726
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    • 2000
  • The analytic gradient method for the equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) energy has been extended to employ a reduced molecular orbital (MO) space. Not only the innermost core MOs but also some of the outermost virtua l MOs can be dropped in the reduced MO space, and a substantial amount of computation time can be reduced without deteriorating the results. In order to study the magnitudes and trends of the effects of the dropped MOs, the geometries and vibrational properties of the ground and excited states of BF, CO, CN, N2, AlCl, SiS, P2, BCl, AIF, CS, SiO, PN and GeSe are calculated with different sizes of molecular orbital space. The 6-31 G* and the aug-cc-pVTZ basis sets are employed for all molecules except GeSc for which the 6-311 G* and the TZV+f basis sets are used. It is shown that the magnitudes of the drop-MO effects are about $0.005\AA$ in bond lengths and about 1% on harmonic frequencies and IR intensities provided that the dropped MOs correspond to (1s), (1s,2s,2p), an (1s,2s,2p,3s,3p) atomic orbitals of the first, the second, and the third row atoms, respectively. The geometries and vibrational properties of the first and the second excited states of HCN and HNC are calculated by using a drastically reduced virtual MO space as well as with the well defined frozen core MO space. The results suggest the possibility of using a very smalI MO space for qualitative study of valence excited states.

The Influences of Role-Playing Analogy in Chemistry concept Learning (화학 개념 학습에서 역할놀이 비유 활동의 효과)

  • Noh, Tae-Hee;Byun, Soon-Hwa;Jeon, Kyung-Moon;Kwon, Hyeok-Soon
    • Journal of The Korean Association For Science Education
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    • v.23 no.3
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    • pp.246-253
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    • 2003
  • This study investigated the influences of role-playing analogy upon students' scientific conceptual understandings, application abilities, retentions of conception and application, and learning motivation. Four classes of 7th grade at a middle school in Seoul were assigned to control and treatment groups, and taught about 'motion of molecules' for 4 class hours. For the Treatment group, role-playing analogy instruction was used. The traditional instruction was used for the control group. Data analysis indicated that the scores of the treatment group were significantly higher than those of the control group in the tests on the conception, the retention of application, and the confidence. In the tests of the application, attention, and relevance, there were significant interactions between instruction and student' gender. Both female and male students in the treatment group scored significantly higher than those in the control group in the application test. In the case of attention and relevance tests, male students in the treatment group scored significantly higher than those in the control group. Educational implications are discussed.

A 2H solid-state NMR study on the lipid phase change in the presence of an antimicrobial peptide (항균성 펩타이드와 혼합된 인지질 분자의 상 변화에 대한 고체 중수소 핵자기 공명 연구)

  • Choi, Hyung Geun;Kim, Chul
    • Analytical Science and Technology
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    • v.26 no.1
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    • pp.61-66
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    • 2013
  • The activity of an antimicrobial peptide, protegrin-1, on the well-aligned lipid bilayer deposited on a thin coverglass plate was investigated by $^2H$ solid-state NMR spectroscopy. Orientational distribution and molecular motion in the lipid bilayer were determined from $^2H$ solid-state NMR spectrum. Reorientational motion of lipid molecules in the vacuum-dried state was found to be small but their orientational distribution was not able to be determined. As storage times were longer, the order of the alignment of lipid molecules in the lipid bilayer and percentages involved in the toroidal pore structures increased. We found that much longer time is required to get the equilibrium state of the peptide-lipid mixture under our experimental condition for investigating the action of the antimicrobial peptide like protegrin-1 on the lipid bilayers deposited on the thin coverglass plates.

The Role of Gap Junction in the Goldfish's Motion Detection Measured with Optometer Response (금붕어의 동작 감지에 미치는 갭 정션의 역할: 시각운동 반응 측정)

  • Lee, Young-Sub;Yoon, Young-Hyun;Jung, Chang-Sub
    • Progress in Medical Physics
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    • v.17 no.4
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    • pp.252-259
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    • 2006
  • Gap junctions are distributed within various cells and function as electrical synapses by freely exchanging small molecules. In the retina, the practical role of gap junctions in an animal's motion detection has not been investigated very much. In this study, optometer response (OMR) was used to Investigate the effects of drugs which modulate electrical synapses between retinal ceils. An Injection of carbenoxolone, 8-Br-cAMP, sodium nitroprusside (SNP) or 8-Br-cGMP decreased goldfish's OMR in both light and dark conditions. In light conditions, an intravitreal injection of dopamine, SKF-38393 or eticlopride decreased OMR and that of SCH-23390 increased it. In dark conditions, the injections produced opposite results: dopamine, SKF-38393 and eticlopride increased OMR and SCH-23390 caused OMR to decrease. These results indicate that gap junctions between retinal cells have an Important role in goldfish's motion detection.

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On the Chemical Evolution of Collapsing Starless Cores

  • Seo, Young-Min;Lee, Jeong-Eun;Kim, Jong-Soo;Hong, Seung-Soo
    • The Bulletin of The Korean Astronomical Society
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    • v.35 no.2
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    • pp.73.2-73.2
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    • 2010
  • In order to understand internal dynamics of starless cores, molecular line emissions are usually observed. From profiles of the molecular lines, internal motions of starless cores have been deduced using a simple radiative transfer model such as the two-layer model (Myers et al.1996). This brings complexities arising from the chemical evolution. The motivation of this study is to follow the chemical evolution of a starless core that goes through gravitational contraction. For this purpose, we have performed hydrodynamical simulations with a marginally unstable Bonnor-Ebert sphere as an initial condition. We follow the chemical evolution of this core with changing conditions such as the chemical reaction rate at the dust surface and the strength of radiation field that penetrate into the core. At the core center, the molecules suffer from a higher degree of molecular depletion on the dust covered by ice rather than on the bare silicate dust. The stronger radiation field dissociates more molecules at the core envelope. From analysis on the line profile using the two-layer model, we found that the speed of inward motion deduced from the HCN F = 2-1 line adequately traces the true infall speed, when the dust is covered by ice and the core is exposed to the diffuse interstellar radiation field. Under different conditions, the two-layer model significantly underestimate the infall speed.

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Assessing Density Functional Theories to Compute the OH Stretching Frequencies of Water Molecules in Condensed Phases (응축상 물 분자의 OH 수축 진동수 계산을 위한 전자밀도 범함수 비교)

  • Kiyoung, Jeon;Mino, Yang
    • Journal of the Korean Chemical Society
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    • v.67 no.1
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    • pp.13-18
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    • 2023
  • We evaluate electron density functional theories for the computation of 0-1 and 1-2 transition energies of local OH stretching motion of water molecules in condensed phases. By examining thirteen density functionals and nine sets of basis functions, it was found that the optimal combination that predicts the transition energies highly correlated with those calculated by the coupled cluster theory, CCSD(T), is the hybrid density functional theory developed by Head-Gordon group, ωB97X(D)/6-31+G*.

Analysis of density diffusion analysis by Fick's laws in the human body (픽법에 의한 생체 내의 농도 확산 분석)

  • Che, Gyu-Shik
    • Journal of Advanced Navigation Technology
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    • v.16 no.4
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    • pp.657-664
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    • 2012
  • One of the methods to transmit solute through solvent is diffusion. Various particles or molecules including several charged ions in the body diffuse from high density region to low density due to density difference or external electric field. This kind of mechanism is due to thermal motion of each solute molecules. These situations can be deployed using Fick's first and second laws that govern diffusion phenomena in the body. I analysis these diffusion status of material in the body using above mentioned Fick's laws and then implement them through illustration.

Review on the Computer Simulation Tools for Polymeric Membrane Researches (고분자 분리막 연구를 위한 전산모사 도구 소개)

  • Choi, Chan Hee;Park, Chi Hoon
    • Membrane Journal
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    • v.30 no.4
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    • pp.242-251
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    • 2020
  • Computer simulation tools mainly used for polymer materials and polymeric membranes are divided into various fields depending on the size of the object to be simulated and the time to be simulated. The computer simulations introduced in this review are classified into three categories: Quantum mechanics (QM), molecular dynamics (MD), and mesoscale modeling, which are mainly used in computational material chemistry. The computer simulation used in polymer research has different research target for each kind of computational simulation. Quantum mechanics deals with microscopic phenomena such as molecules, atoms, and electrons to study small-sized phenomena, molecular dynamics calculates the movement of atoms and molecules calculated by Newton's equation of motion when a potential or force of is given, and mesoscale simulation is a study to determine macroscopically by reducing the computation time with large molecules by forming beads by grouping atoms together. In this review, various computer simulation programs mainly used for polymers and polymeric membranes divided into the three types classified above will be introduced according to each feature and field of use.

GG Tauri A: gas properties and dynamics from the cavity to the outer disk

  • Nguyen, Thi Phuong;Dutrey, Anne;Pham, Ngoc Diep;Chapillon, Edwige;Guilloteau, Stephane;Lee, Chang Won;Di Folco, Emmanuel;Majumdar, Liton;Bary, Jeff;Beck, Tracy L.;Coutens, Audrey;Denis-Alpizar, Otoniel;Melisse, Jean-Paul;Pietu, Vincent;Stoecklin, Thierry;Tang, Yei-Wen
    • The Bulletin of The Korean Astronomical Society
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    • v.46 no.2
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    • pp.38.2-39
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    • 2021
  • I will presents the analysis of the gas properties of the protoplanetary disk surrounding the young low-mass (about 1.2Msun) triple star, GG Tau A. This work makes use of ALMA observations of rotational lines of CO (12CO, 13CO and C18O) together NOEMA observations of a few dozens of other molecules. While the CO emission gives information on the molecular layer close to the disk atmosphere, its less abundant isotopologues 13CO and C18O bring information much deeper in the molecular layer. I will present the analysis of the morphology and kinematics of the gas disk using the CO isotopologues. A radiative transfer model of the ring in CO isotopologues will also be presented. The subtraction of this model from the original data reveals the weak emission of the molecular gas lying inside the cavity. Thus, I am able to evaluate the properties of the gas inside the cavity, such as the gas dynamics, excitation conditions, and the amount of mass in the cavity. High angular resolution observations of CO reveals sprials induced by embedded planet(s) located near the 3:2:1 mean-motion resonance that help to explain the special morphology of the circumbinary disk. I also discuss some chemical properties of the GG Tau A disk. I report the first detection of H2S and C2S in a protoplanetary disk. The molecule abundance relative to 13CO of about twenties other molecules will also be given. In GG Tau A, the detections of rare molecules such as H2S and C2S have been probably possible because the disk is more massive (a factor about 3-5) than other disks where the molecules was searched. Such a large disk mass makes the system suitable to detect rare molecules and to study cold-chemistry in protoplanetary disks.

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