• Title/Summary/Keyword: Charge property

검색결과 397건 처리시간 0.03초

Prediction Acidity Constant of Various Benzoic Acids and Phenols in Water Using Linear and Nonlinear QSPR Models

  • Habibi Yangjeh, Aziz;Danandeh Jenagharad, Mohammad;Nooshyar, Mahdi
    • Bulletin of the Korean Chemical Society
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    • 제26권12호
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    • pp.2007-2016
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    • 2005
  • An artificial neural network (ANN) is successfully presented for prediction acidity constant (pKa) of various benzoic acids and phenols with diverse chemical structures using a nonlinear quantitative structure-property relationship. A three-layered feed forward ANN with back-propagation of error was generated using six molecular descriptors appearing in the multi-parameter linear regression (MLR) model. The polarizability term $(\pi_1)$, most positive charge of acidic hydrogen atom $(q^+)$, molecular weight (MW), most negative charge of the acidic oxygen atom $(q^-)$, the hydrogen-bond accepting ability $(\epsilon_B)$ and partial charge weighted topological electronic (PCWTE) descriptors are inputs and its output is pKa. It was found that properly selected and trained neural network with 205 compounds could fairly represent dependence of the acidity constant on molecular descriptors. For evaluation of the predictive power of the generated ANN, an optimized network was applied for prediction pKa values of 37 compounds in the prediction set, which were not used in the optimization procedure. Squared correlation coefficient $(R^2)$ and root mean square error (RMSE) of 0.9147 and 0.9388 for prediction set by the MLR model should be compared with the values of 0.9939 and 0.2575 by the ANN model. These improvements are due to the fact that acidity constant of benzoic acids and phenols in water shows nonlinear correlations with the molecular descriptors.

2차 비선형 광특성의 제어를 위한 실리카 유리의 전기분극 기구 전산모사 (Computer Simulation on the Poling Mechanism for the Control of 2nd Order Optical Nonlinearity in Silica Glass)

  • 유웅현;이승규;신동욱;정용재
    • 한국재료학회지
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    • 제11권3호
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    • pp.207-214
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    • 2001
  • 실리카 유리는 매우 우수한 광도파 소재이지만 비선형 광특성이 거의 없다. 그러나 이런 실리카 유리에 금속 전극과 같은 차단전극을 이용하여 강한 전기장을 장시간 가하게 되면 공간 전하 분극이 발생하게 되고 이에 의해 비선형 광특성이 나타나게 된다는 것은 실험적으로 알려져 왔다. 본 연구에서는 전기분극 시 실리카 유리에서 나타나는 비선형 광특성의 경시적인 변화를 공간적인 위치와 시간에 따라 정확히 예측할 수 있는 수치해석적인 모델을 제시하고자 하였다. 이를 위해서 지금가지 실험들에서 실리카 유리의 비선형 광특성 발생의 원인으로 밝혀진 공간전하분극을 전기분극 기구의 전산모사를 통하여 규명하였다. 비정질 실리카를 전해질 용액과 같은 특성을 지니는 매질로 가정하고 전하운반체가 단지 $Na^{+}$ 밖에 없다는 가정 하에 유한 차분법 (finite difference method)을 이용하였다. 원래의 복잡한 함수들을 표준화 변수들을 이용하여 간단한 식으로 변환하여 $Na^{+}$의 농도와 전기장의 분포를 표준화된 시편의 길이와 인가된 전압의 세기만으로 구할 수 있도록 하였다.

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바나듐 레독스-흐름 전지용 격막에 관한 연구 (Study on a Separator for the All-vanadium Redox Flow Battery)

  • 이상호;김정근;최상일;황갑진;진창수
    • 멤브레인
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    • 제19권2호
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    • pp.129-135
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    • 2009
  • 바나듐 레독스-흐름 전지용 격막으로 사용하기 위해 폴리설폰(Psf)에 폴리페닐렌설파이드설폰(PPSS)을 블록 공중합 시킨 폴리머를 사용하여 양이온교환막을 제작하여, 막 특성을 평가하였다. 제작한 양이온교환막은 Nafion117보다 열적 안정성이 뛰어나다는 것을 TG분석을 통해 알 수 있었고, 1몰 황산용액에서의 막 저항은 3 cc의 CSA를 도입하였을 때 $0.96{\Omeg}{\cdot}cm^2$로 제일 작은 저항 값을 나타냈다. 제작한 양이온교환막의 바나듐 레독스-흐름 전지에서의 전기화학적 특성에 대해 평가하였다. 제작한 양이온교환막을 사용한 바나듐 레독스-흐름 전지의 100% 충전상태에서의 기전력은 바나듐 레독스-흐름 전지의 기전력 값인 1.4V를 나타냈으며, 각 충전상태에서의 충 방전 셀 저항은 Nafion117을 사용한 전지의 값보다 작은 값을 나타냈다.

대전방지 열가소성폴리우레탄 M/B를 이용한 코팅사 제조 조건이 대전방지성에 미치는 영향 (The Effect of Manufacturing Conditions of Coated Yarn Using Anti-Static Thermoplastic Polyurethane M/B on Anti-Static Resistance)

  • 정예담;권지은;권선민;채시현;조현제;김우석;김미경;김종원
    • 한국염색가공학회지
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    • 제35권1호
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    • pp.20-28
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    • 2023
  • In this study, TPU resin for coating was prepared by varying the mixing ratio of antistatic TPU and recycled TPU to manufacture permanent antistatic materials. The coated yarn was prepared by coating on the nylon yarn, and then the thermal, rheological, mechanical properties and antistatic properties were analyzed. In addition, antistatic properties and durability were confirmed after manufacturing UD fabrics using coated yarns. The mixing ratio of antistatic TPU and recycled TPU was most appropriate at 4:6, and the antistatic property had a surface resistance of 2.20 × 109 Ω and a static charge of 398 V. In the coating process, the coating speed was most appropriate at 0.21 m/s, and the surface resistance of the UD fabric manufactured with the coated yarn manufactured under this condition was 6.80 × 109 Ω and the static charge was 484 V. The UD fabric had a surface resistance of 7.21 × 109 Ω and a static charge of 517 V after washing 10 times, and it was confirmed that the permanent antistatic property was excellent.

BCD 공정 기반 저면적 MTP 설계 (Design of Small-Area MTP Memory Based on a BCD Process)

  • 권순우;리룡화;김도훈;하판봉;김영희
    • 전기전자학회논문지
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    • 제28권1호
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    • pp.78-89
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    • 2024
  • 차량용 반도체에서 사용되는 BCD 공정 기반의 PMIC 칩은 아날로그 회로를 트리밍하기 위해 추가 마스크가 필요없는 MTP(Multi-Time Programmable) IP(Intellectual Property)를 요구한다. 본 논문에서는 저면적 MTP IP 설계를 위해 2개의 트랜지스터와 1개의 MOS 커패시터를 갖는 single poly EEPROM 셀인 MTP 셀에서 NCAP(NMOS Capacitor) 대신 PCAP(PMOS Capacitor)을 사용한 MTP 셀을 사용하여 MTP 셀 사이즈를 18.4% 정도 줄였다. 그리고 MTP IP 회로 설계 관점에서 MTP IP 설계의 CG 구동회로와 TG 구동회로에 2-stage voltage shifter 회로를 적용하였고, DC-DC 변환기 회로의 면적을 줄이기 위해 전하 펌핑 방식을 사용하는 VPP(=7.75V), VNN(=-7.75V)와 VNNL(=-2.5V) 전하 펌프 회로에서 각각의 전하 펌프마다 별도로 두고 있는 ring oscillator 회로를 하나만 둔 회로를 제안하였으며, VPPL(=2.5V)은 전하펌프 대신 voltage regulator 회로를 사용하는 방식을 제안하였다. 180nm BCD 공정 기반으로 설계된 4Kb MTP IP 사이즈는 0.493mm2이다.

Newly Synthesized Silicon Quantum Dot-Polystyrene Nanocomposite Having Thermally Robust Positive Charge Trapping

  • Dung, Mai Xuan;Choi, Jin-Kyu;Jeong, Hyun-Dam
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2013년도 제44회 동계 정기학술대회 초록집
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    • pp.221-221
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    • 2013
  • Striving to replace the well known silicon nanocrystals embedded in oxides with solution-processable charge-trapping materials has been debated because of large scale and cost effective demands. Herein, a silicon quantum dot-polystyrene nanocomposite (SiQD-PS NC) was synthesized by postfunctionalization of hydrogen-terminated silicon quantum dots (H-SiQDs) with styrene using a thermally induced surface-initiated polymerization approach. The NC contains two miscible components: PS and SiQD@PS, which respectively are polystyrene and polystyrene chains-capped SiQDs. Spin-coated films of the nanocomposite on various substrate were thermally annealed at different temperatures and subsequently used to construct metal-insulator-semiconductor (MIS) devices and thin film field effect transistors (TFTs) having a structure p-$S^{++}$/$SiO_2$/NC/pentacene/Au source-drain. C-V curves obtained from the MIS devices exhibit a well-defined counterclockwise hysteresis with negative fat band shifts, which was stable over a wide range of curing temperature ($50{\sim}250^{\circ}C$. The positive charge trapping capability of the NC originates from the spherical potential well structure of the SiQD@PS component while the strong chemical bonding between SiQDs and polystyrene chains accounts for the thermal stability of the charge trapping property. The transfer curve of the transistor was controllably shifted to the negative direction by chaining applied gate voltage. Thereby, this newly synthesized and solution processable SiQD-PS nanocomposite is applicable as charge trapping materials for TFT based memory devices.

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ARC(Heat-wait-search method)와 Isothermal 조건을 이용한 압축형 복합화약의 열적 특성 및 노화 예측 연구 (Study on the Thermal Property and Aging Prediction for Pressable Plastic Bonded Explosives through ARC(Heat-wait-search method) & Isothermal Conditions)

  • 이소정;김승희;권국태;전영진
    • 한국추진공학회지
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    • 제22권4호
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    • pp.55-60
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    • 2018
  • 열적 특성은 에너지 물질 분야에서 중요한 특성 중 하나로, 분해열을 방출하기 때문에, 열적 특성 분석에 DSC(Differential Scanning Calorimetry)가 자주 사용된다. 그러나 DSC 측정의 경우, 용융과 같은 열역학적 변화가 kinetics 분석에 방해를 끼친다. 이번 연구에서는 이 문제점을 해결하는 방안으로, 등온 조건으로 한 DSC 기초 데이터와 g 단위로 측정하는 ARC(Accelerating Rate Calorimetry)의 데이터를 이용하여 AKTS(Advanced Kinetics and Technology Solutions) thermokinetic 프로그램을 이용하여 열적 노화 특성을 예측, 비교한다.

고정비용과 비선형 단위운송비용을 가지는 수송문제를 위한 이단유전알고리즘에 관한 연구 (A Study on the Bi-level Genetic Algorithm for the Fixed Charge Transportation Problem with Non-linear Unit Cost)

  • 성기석
    • 한국경영과학회지
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    • 제41권4호
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    • pp.113-128
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    • 2016
  • This paper proposes a Bi-level Genetic Algorithm for the Fixed Charge Transportation Problem with Non-linear Unit Cost. The problem has the property of mixed integer program with non-linear objective function and linear constraints. The bi-level procedure consists of the upper-GA and the lower-GA. While the upper-GA optimize the connectivity between each supply and demand pair, the lower-GA optimize the amount of transportation between the pairs set to be connected by the upper-GA. In the upper-GA, the feasibility of the connectivity are verified, and if a connectivity is not feasible, it is modified so as to be feasible. In the lower-GA, a simple method is used to obtain a pivot feasible solution under the restriction of the connectivity determined by the upper-GA. The obtained pivot feasible solution is utilized to generate the initial generation of chromosomes. The computational experiment is performed on the selected problems with several non-linear objective functions. The performance of the proposed procedure is analyzed with the result of experiment.

Analysis of Au-DNA Nanowires by Adding HCl to Change Charges of Au Nanoparticles

  • 정윤호;김대철;박현규;노용한
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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    • pp.421.1-421.1
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    • 2014
  • Top-down processes based on photolithography technology have been developed by using light sources with short wavelength, however, the processes are expected to meet their limits in higher integration of semiconductor integrated circuits. To overcome the limits, researches on bottom-up processes have been proceeded. One of those, fabrication of nanodevices by using nanoparticles has been on research. But it is difficult to align nanoparticles at appropriate positions. To resolve this, studies has been proceeded to form nanowires by bonding DNA molecules which have self-assembly property and positive-charged functionalized gold nanoparticles. There are negative-charged phosphates in backbones of DNA molecules. By using the attractive force between the negative charge of the phosphates and the positive charge of gold nanoparticles, the Au-DNA nanowires are made. However, bonding Au nanoparticles only on DNA molecules, not other nanoparticles, is to be solved. So we studied to resolve this problem. In the formation of Au nanoparticles, we changed the charge of Au nanoparticles by adding HCl to control pH of the functionalized nanoparticles, measured zeta potential. Then we bonded the nanoparticles and DNA molecules and made observation by using FE-SEM and AFM.

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도전재 종류에 따른 $LiMn_2O_4$정극의 AC Impedance 측정 및 충방전 특성 (AC Impedance analysis and charge/discharge characteristics of $LiMn_2O_4$ cathode according to conductive agent)

  • 정인성;성창호;박복기;구할본
    • 대한전기학회:학술대회논문집
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    • 대한전기학회 1997년도 하계학술대회 논문집 C
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    • pp.1594-1596
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    • 1997
  • $LiMn_2O_4$ is prepared by reacting stoichiometric mixture of LiOH $H_2O$ and $MnO_2$ (mole ratio 1 : 2) and calcinating at $800^{\circ}C$ for 24h, 36h, 48h, 60h and 72h. At X-ray diffraction, cathode active materials calcined at $800^{\circ}C$ for 36h. (111)/(311) peak ratio was 0.37. It was that crystal structure is formed very well. In the result of charge/discharge test, when heated at $800^{\circ}C$ for 36h, charge/discharge characteristics of $LiMn_2O_4$ is the best and Super-s-black sort of conductive agent showed well property. Also, AC impedance creased gradually during cycling and stabilized after 10cycle.

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