• Title/Summary/Keyword: nonlinear chemical process

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Liquid crystal effects on poling behaviour of NLO chromophore dispersed in organically modified sol-gel materials (유/무기 졸-겔 재료에 비선형광학 물질의 배향특성에 대한 액정효과)

  • Baek, In-Chan;Seok, Sang-Il;Jin, Moon-Young;Lee, Chang-Jin
    • Proceedings of the Materials Research Society of Korea Conference
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    • 2003.11a
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    • pp.132-132
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    • 2003
  • Second-order nonlinear optical(NLO) materials have been extensively studied for applications in photonic devices, such as frequency doubling and electro-optical(EO) modulation, because of their large optical nonlinearity, excellent processibility, low dielectric constant, and high laser damage thresholds. The poling behaviour of NLO chromophore in organic/inorganic matrixes showed the randomization of poled NLO chromophore in the absence of poling Held. The liquid crystal molecules in a droplet showed a long-range orientational order along a director. Therefore, liquid crystal effects on poling behaviour of NLO chromophore dispersed in organically modified inorganic sol-gel materials were investigated. Using sol-gel process for the development of NLO material has received increasing attention, Organically modifked inorganic NLO sol-Eel materials are obtained via incorporation of the organic NLO active chromophore into an alkoxysilane based inorganic network. One of the most important thing in this works was that tetraethoxysilane(TEOS) and methyltrimathoxysilane(HTMS) were used as precursor followed by hydrolysis and condensation without using any acidic catalyst during the process. The NLO chromophores in the liquid crystal nanodomains were well mixed with I/O hybrid matrix, deposited on transparent ITO-coated glasses. The poling behaviour of liquid crystal effects of NLO chromophore dispersed in I/O hybrid matrix were investigated by UV-vis spectroscopy. Size distribution and morphology of the NLO chromophores doped in the liquid crystal nanodomains dispersed in I/O hybrid matrix were investigated by SEM.

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Analysis of the effect of flow-induced crystallization on the stability of low-speed spinning using the linear stability method

  • Shin Dong Myeong;Lee Joo Sung;Jung Hyun Wook;Hyun Jae Chun
    • Korea-Australia Rheology Journal
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    • v.17 no.2
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    • pp.63-69
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    • 2005
  • The stability of low-speed spinning process exhibiting spinline flow-induced crystallization (FIC) with no neck-like spinline deformation has been investigated using the method of linear stability analysis. Effects of various process conditions such as fluid viscoelasticity and the spinline cooling on the spinning stability have been found closely related to the development of the spinline crystallinity. It also has been found that the FIC makes the system less stable or more unstable than no FIC cases when the spinline crystallinity reaches its maximum possible value, whereas the FIC generally stabilizes the system if the crystallinity doesn't reach its maximum value on the spinline. It is believed that the destabilizing effect of the FIC on low-speed spinning when the crystallinity is fully developed on the spinline is due to the reduction of the real spinning length available for deformation on the spinline. On the other hand, the increased spinline tension caused by the FIC when the maximum crystallinity is not reached on the spinline and thus no reduction in the spinning length occurs, makes the sensitivity of spinline variables to external disturbances smaller and hence stabilizes the system. These linear stability results are consistent with the findings by nonlinear transient simulation, as first reported by Lee et al. (2005b).

Understanding and predicting physical properties of rocks through pore-scale numerical simulations (공극스케일에서의 시뮬레이션을 통한 암석물성의 이해와 예측)

  • Keehm, Young-Seuk;Nur, Amos
    • 한국지구물리탐사학회:학술대회논문집
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    • 2006.06a
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    • pp.201-206
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    • 2006
  • Earth sciences is undergoing a gradual but massive shift from description of the earth and earth systems, toward process modeling, simulation, and process visualization. This shift is very challenging because the underlying physical and chemical processes are often nonlinear and coupled. In addition, we are especially challenged when the processes take place in strongly heterogeneous systems. An example is two-phase fluid flow in rocks, which is a nonlinear, coupled and time-dependent problem and occurs in complex porous media. To understand and simulate these complex processes, the knowledge of underlying pore-scale processes is essential. This paper presents a new attempt to use pore-scale simulations for understanding physical properties of rocks. A rigorous pore-scale simulator requires three important traits: reliability, efficiency, and ability to handle complex microstructures. We use the Lattice-Boltzmann (LB) method for singleand two-phase flow properties, finite-element methods (FEM) for elastic and electrical properties of rocks. These rigorous pore-scale simulators can significantly complement the physical laboratory, with several distinct advantages: (1) rigorous prediction of the physical properties, (2) interrelations among the different rock properties in a given pore geometry, and (3) simulation of dynamic problems, which describe coupled, nonlinear, transient and complex behavior of Earth systems.

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MORPHOLOGICAL CHARACTERISTICS OF NONLINEAR OPTICAL MOLECULES AT THE AIR/WATER INTERFACE

  • Lim, Sung-Taek;Park, Mi-Kyung;Shin, Dong-Myung;Kwon, Ohoak
    • Journal of Photoscience
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    • v.5 no.1
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    • pp.11-15
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    • 1998
  • The texture change of non-linear optical molecules at the air/water interface was investigated as a function of surface pressure with Brewster angle microscopy. The texture change resulted from the aggregation of dye molecules is important to understand the film uniformity and grain formation process. The 4-Octadecylhydroxy-4'-nitrostilbene (OHNS) generated the small spots of size around 1$\mu$m. The spots exhibit high contrast with other film area and do not show angle dependent reflectivity change. It is interesting to observe that the size of the domain stays the same as the film pressure increases. At high surface pressure, the contrast ratio of domains becomes high, which means dense packing of OHNS. And, the size of domain grows. In the middle of domain, highly contrasted domains are formed. The first and the second order transitions of OHNS observed from surface pressure-area isotherm result from the two types of grains. The N,N-Dihexadecylcyanoaniline (DHCA) formed highly contrasted gains over entire region, and the grains are the double layers. The difference in Langmuir film of OHNS and DHCA at the air/water interface is consistent with the small tilt angle from the surface normal for OHNS and the large tilt angle for DHCA in the Langmuir-Blodgett films.

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Reagentless Determination of Human Serum Components Using Infrared Absorption Spectroscopy

  • Hahn, Sang-Joon;Yoon, Gil-Won;Kim Gun-Shik;Park Seung-Han
    • Journal of the Optical Society of Korea
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    • v.7 no.4
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    • pp.240-244
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    • 2003
  • Simultaneous determination of concentrations for four major components in human blood serum was investigated using a Fourier-transform mid-infrared spectroscopy. Infrared spectra of human blood serum were measured in 8.404 ∼ 10.25 ${\mu}m$ range where the highest absorption peaks of glucose are located. A partial least square (PLS) algorithm was utilized to establish a calibration model for determining total protein, albumin, globulin and glucose levels which are commonly measured metabolites. The standard error of cross validation obtained from our multivariate calibration model was 0.24 g/dL for total protein, 0.15 g/dL for albumin, 0.17 g/dL for globulin, and 6.68 mg/dL for glucose, which are comparable with or meet the criteria for clinical use. The results indicate that the infrared absorption spectroscopy can be used to predict the concentrations of clinically important metabolites without going through a chemical process with a reagent.

Development of Adsorption Process with UiO-66 Particles for Hydrogen Purification Using Statistical Design of Experiment (통계학적 실험계획법을 이용한 수소정제용 UiO-66 흡착제 개발)

  • Lee, Hyun Sik;Kim, Da Som;Park, Ji Won;Yoo, Kye Sang
    • Korean Chemical Engineering Research
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    • v.56 no.6
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    • pp.784-791
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    • 2018
  • UiO-66 particles were synthesized under various synthesis conditions to study the adsorption of carbon dioxide for hydrogen purification. For the purpose, the design and analysis of experiments was performed using statistical design of experiment method. As the synthesis time, temperature and acetic acid amount increased, the crystallinity of UiO-66 particles increased. Especially, the amount of acetic acid was confirmed as an important factor in determining the crystallinity of the particles. The specific surface area of the particles measured by the nitrogen adsorption method also showed a similar tendency. Using the general factor analysis in the experimental design method, the main effects and interactions of major factors were analyzed. In addition, the carbon dioxide adsorption capacity was predicted using a nonlinear regression method. Then, the adsorption performance was shown through surface and contour maps for all ranges.

Study of Polymor Properties Prediction Using Nonlinear SEM Based on Gaussian Process Regression (가우시안 프로세서 회귀 기반의 비선형 구조방정식을 활용한 고분자 물성거동 예측 연구)

  • Moon Kyung-Yeol;Park Kun-Wook
    • KIPS Transactions on Computer and Communication Systems
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    • v.13 no.1
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    • pp.1-9
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    • 2024
  • In the development and mass production of polymers, there are many uncontrollable variables. Even small changes in chemical composition, structure, and processing conditions can lead to large variations in properties. Therefore, Traditional linear modeling techniques that assume a general environment often produce significant errors when applied to field data. In this study, we propose a new modeling method (GPR-SEM) that combines Structural Equation Modeling (SEM) and Gaussian Process Regression (GPR) to study the Friction-Coefficient and Flexural-Strength properties of Polyacetal resin, an engineering plastic, in order to meet the recent trend of using plastics in industrial drive components. And we also consider the possibility of using it for materials modeling with nonlinearity.

Nucleation and Growth of Bismuth Electrodeposition from Alkaline Electrolyte

  • Zhou, Longping;Dai, Yatang;Zhang, Huan;Jia, Yurong;Zhang, Jie;Li, Changxiong
    • Bulletin of the Korean Chemical Society
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    • v.33 no.5
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    • pp.1541-1546
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    • 2012
  • The early stages of bismuth (Bi) electrodeposition on glass carbon electrode from alkaline electrolyte were studied by cyclic voltammetry, chronoamperometry, scanning electron microscopy, atomic force microscopy and X-ray diffraction. The CV analysis showed that the electrodeposition of Bi was determined to be quasireversible process with diffusion controlled. The current transients for Bi electrodeposition were analyzed according to the Scharifker-Hills model and the Heerman-Tarallo model. It can be concluded that the nucleation and growth mechanism was carried out under a 3D instantaneous nucleation, which was confirmed by SEM analysis. The kinetic growth parameters were obtained through a nonlinear fitting. In addition, the Bi film obtaining at -0.86 V for 1 hour was of compact and uniform surface with good smoothness, small roughness and a very high purity. The Bi film were indexed to rhombohedral crystal structure with preferred orientation of (0 1 2) planes to growth.

Kinetics and Mechanism of the Pyridinolysis of Aryl Phenyl Chlorothiophosphates in Acetonitrile

  • Hoque, Md. Ehtesham Ul;Dey, Shuchismita;Kim, Chan-Kyung;Lee, Hai-Whang
    • Bulletin of the Korean Chemical Society
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    • v.32 no.4
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    • pp.1138-1142
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    • 2011
  • Kinetic studies for the reactions of Y-aryl phenyl chlorothiophosphates with X-pyridines have been carried out in acetonitrile at $35.0^{\circ}C$. The Hammett and Bronsted plots for substituent X variations in the nucleophiles are biphasic concave upwards with a break point at X = 3-Ph, while the Hammett plots for substituent Y variations in the substrates are biphasic concave downwards (and partially upwards) with a break point at Y = H. The signs and magnitudes of the cross-interaction constant (${\rho}_{XY}$) are strongly dependent upon the nature of substituents, X and Y. The proposed mechanism is a stepwise process with a rate-limiting step change from bond breaking with the weaker electrophiles to bond formation with the stronger eletrophiles. The nonlinear free energy correlations of biphasic concave upward plots for substituent X variations in the nucleophiles are rationalized by a change in the attacking direction of the nucleophile from a backside with less basic pyridines to a frontside attack with more basic pyridines.

A Study on Optimal Design of Single Periodic, Multipurpose Batch Plants

  • Rhee, In-Hyoung;Cho, Dae-Chul
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.3 no.1
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    • pp.10-19
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    • 2002
  • The purpose of this paper is to describe the design of a general multipurpose batch process or plant in terms of a series of mathematical programing models, and to develop approach solution methodologies. The proposed model for a single period is based on the formulation (MINLP; Mixed Integer Nonlinear Programming) of Papageorgaki and Reklaitis [1], but was linearized (MILP; Mixed Integer Linear Programming) so as to obtain an exact and practical solution, and to allow treatment of uncertainties to be considered in expanding the plant. As a solution strategy a modified Benders' Decomposition was introduced and was tested on three example problems. The optimizing solver, OSL code provided by the IBM Corporation, was used for solving the problems. The solution method was successful in that it showed remarkable reduction in the computing times as compared with the direct solution method.

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