• Title/Summary/Keyword: Charge-Transfer

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The Effect of Lattice Topology on Benzyl Alcohol Adsorption on Kaolinite Surfaces: Quantum Chemical Calculations of Mulliken Charges and Magnetic Shielding Tensor (캐올리나이트 규산염 층과 벤질알코올의 반응에 대한 양자화학계산에서 결정학적 위상이 멀리켄 전하와 자기 차폐 텐서에 미치는 영향)

  • Lee, Bum-Han;Lee, Sung-Keun
    • Journal of the Mineralogical Society of Korea
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    • v.20 no.4
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    • pp.313-325
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    • 2007
  • In order to have better insights into adsorption of organic molecules on kaolinite surfaces, we performed quantum chemical calculations of interaction between three different model clusters of kaolinite siloxane surfaces and benzyl alcohol, with emphasis on the effect of size and lattice topology of the cluster on the variation of electron density and magnetic shielding tensor. Model cluster 1 is an ideal silicate tetrahedral surface that consists of 7 hexagonal rings, and model cluster 2 is composed of 7 ditrigonal siloxane rings with crystallographically distinct basal oxygen atoms in the cluster, and finally model cluster 3 has both tetrahedral and octahedral layers. The Mulliken charge analysis shows that siloxane surface of model cluster 3 undergoes the largest electron density transfer after the benzyl alcohol adsorption and that of model cluster 1 is apparently larger than that of model cluster 2. The difference of Mulliken charges of basal oxygen atoms before and after the adsorption is positively correlated with hydrogen bond strength. NMR chemical shielding tensor calculation of clusters without benryl alcohol shows that three different basal oxygen atoms (O3, O4, and O5) in model cluster 2 have the isotropic magnetic shielding tensor as $228.2{\pm}3.9,\;228.9{\pm}3.4,\;and\;222.3{\pm}3.0ppm$, respectively. After the adsorption, the difference of isotropic chemical shift varies from 1 to 5.5 ppm fer model cluster 1 and 2 while model cluster 2 apparently shows larger changes in isotropic chemical shift. The chemical shift of oxygen atoms is also positively correlated with electron density transfer. The current results show that the adsorption of benzyl alcohol on the kaolinite siloxane surfaces can largely be dominated by a weak hydrogen bonding and electrostatic force (charge-charge interaction) and demonstrate the importance of the cluster site and the lattice topology of surfaces on the adsorption behavior of the organic molecules on clay surfaces.

Analysis of Elements for Efficiencies in Magnetically-Coupled Wireless Power Transfer System Using Metamaterial Slab (메타물질 Slab이 포함된 자계 결합 무선 전력 전송 시스템 효율 요소 분석)

  • Kim, Gunyoung;Oh, TaekKyu;Lee, Bomson
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
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    • v.25 no.11
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    • pp.1128-1134
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    • 2014
  • In this paper, the effects of a metamaterial slab with negative permeability in a magnetically coupled wireless power transfer system (WPT) in the overall performance are analyzed quantitatively in terms of the effective quality factors of the loop resonators and coupling coefficient considering the slab losses, based on an equivalent circuit. Using the ideal metamaterial slab(lossless slab), the WPT efficiency is improved considerably by the magnetic flux focusing. However, the practical lossy slab made of RRs or SRRs limits the significant enhancement of WPT efficiency due to the relatively high losses in the slab consisting of RRs or SRRs near the resonant frequency. For the practical loop resonator, other than a point magnetic charge, using the practical lossy metamaterial slab in order to improve the transfer efficiency, the width of the slab needs to be optimized somewhat less than the half of the distance between two loop resonators. For the low-loss slab with its loss tangent of 0.001, the WPT efficiency is maximized at 93 % when the ratio of the slab width and the distance between the two resonators is approximately 0.35, compared with 53 % for the case without the slab. The efficiency in case of employing the high-low slab(loss tangent: 0.2) is maximized at 61 % when the slab ratio is 0.25.

The Roles of Electrolyte Additives on Low-temperature Performances of Graphite Negative Electrode (전해액 첨가제가 흑연 음극의 저온특성에 미치는 영향)

  • Park, Sang-Jin;Ryu, Ji-Heon;Oh, Seung-Mo
    • Journal of the Korean Electrochemical Society
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    • v.15 no.1
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    • pp.19-26
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    • 2012
  • SEI (solid electrolyte interphase) layers are generated on a graphite negative electrode from three different electrolytes and low-temperature ($-30^{\circ}C$) charge/discharge performance of the graphite electrode is examined. The electrolytes are prepared by adding 2 wt% of vinylene carbonate (VC) and fluoroethylene carbonate (FEC) into a standard electrolyte solution. The charge-discharge capacity of graphite electrode shows the following decreasing order; FEC-added one>standard>VC-added one. The polarization during a constant-current charging shows the reverse order. These observations illustrate that the SEI film resistance and charge transfer resistance differ according to the used additives. This feature has been confirmed by analyzing the chemical composition and thickness of three SEI layers. The SEI layer generated from the standard electrolyte is composed of polymeric carbon-oxygen species and the decomposition products ($Li_xPF_yO_z$) of lithium salt. The VC-derived surface film shows the largest resistance value even if the salt decomposition is not severe due to the presence of dense film comprising C-O species. The FEC-derived SEI layer shows the lowest resistance value as the C-O species are less populated and salt decomposition is not serious. In short, the FEC-added electrolyte generates the SEI layer of the smallest resistance to give the best low-temperature performance for the graphite negative electrode.

[Mössbauer] Spectroscopic Study of La1/3Sr2/3FeO2.96 under the External Magnetic Field (산소결핍 페롭스카이트 La1/3Sr2/3FeO2.96의 외부 자기장 하에서의 Mössbauer분광학적 연구)

  • Yoon, Sung-Hyun;Jung, Jong-Yong
    • Journal of the Korean Magnetics Society
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    • v.15 no.2
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    • pp.81-84
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    • 2005
  • The origin for the charge disproportionation (CD) transition in polycrystalline $La_{1/3}Sr_{2/3}FeO_{2.96}$ was examined using X-ray diffraction and the external field $M\ddot{o}ssbauer$ssbauer spectroscopy. In order to see how the external magnetic field affects the CD state above its transition temperature, an external magnetic field of up to 6 T was applied either parallel or perpendicular to the $\gamma-ray$ direction with the sample temperature fixed at 225 K, which was above the CD transition temperature. Without an external magnetic field, a completely paramagnetic singlet was obtained in the temperature range of the averaged valence state above the transition temperature, which was interpreted as coming from the average valence $Fe^{3.6+}$. In the longitudinal geometry, a magnetic Zeeman with its intensity ratio 3:0:1:1:0:3 is superimposed to the central singlet. In the transverse geometry, however, the central singlet disappears and only a magnetic component with its intensity ratio 3:4:1:1:4:3 emerges. The existence of a singlet is understood as an evidence of the fast electron-transfer among Fe ions. Since the singlet still exists under the magnetic field, the application of an external field has little effect on the conduction mechanism of hopping electrons.

Analysis of Electrochemical Characteristics of the Rechargeable $LiMn_2O_4$ Thin Film Battery (재충전이 가능한 박막전자용 $LiMn_2O_4$ 박막 전지의 전기화학 특성 분석)

  • Kim Joo-Seok;Jung Hunjoon;Kim Chan-Soo;Joo Seung-Ki
    • Journal of the Korean Electrochemical Society
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    • v.3 no.3
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    • pp.131-135
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    • 2000
  • In order to investigate the origin of capacity fading with charge/discharge cycling in $LiMn_2O_4$ thin film battery, impedance studies have been performed with increasing cycling in $LiMn_2O_4/1M\;LiClO_4-PC/Li$ cells. The fitted values obtained from impedance data show good agreements with the experimental results. Especially, the element of charge transfer resistance of $LiMn_2O_4/liquid$ electrolyte interface initially increased, and then saturated with increasing the charge/discharge cycles, which could explain the cause of initial abrupt capacity fading of $LiMn_2O_4$ thin film with cycling due to interfacial reaction. The steady capacity fading is caused by the increasing of Warburg resistance. The chemical diffusion coefficient of Li ions decreased from $5.15\times10^{-11}cm^2/sec$ at 1st cycles to $6.3\times10^{-12}cm^2/sec$ at 800th cycles, which attributed to the Jahn-Teller distortion/Mn dissolution which diminishes tetra hedral sites necessary for Li diffusion in $LiMn_2O_4$.

Facile Synthesis of In2S3 Modified Ag3PO4 Nanocomposites with Improved Photoelectrochemical Properties and Stabilities

  • Zeng, Yi-Kai;Bo, Shenyu;Wang, Jun-hui;Cui, Bin;Gu, Hao;Zhu, Lei;Oh, Won-Chun
    • Korean Journal of Materials Research
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    • v.30 no.11
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    • pp.601-608
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    • 2020
  • In this work, Ag3PO4/In2S3 nanocomposites with low loading of In2S3 (5-15 wt %) are fabricated by two step chemical precipitation approach. The microstructure, composition and improved photoelectrochemical properties of the as-prepared composites are studied by X-ray diffraction pattern (XRD), field emission scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), photocurrent density, EIS and amperometric i-t curve analysis. It is found that most of In2S3 nanoparticles are deposited on the surfaces of Ag3PO4. The as-prepared Ag3PO4/In2S3 composite (10 wt%) is selected and investigated by SEM and TEM, which exhibits special morphology consisting of lager size substrate (Ag3PO4), particles and some nanosheets (In2S3). The introduction of In2S3 is effective at improving the charge separation and transfer efficiency of Ag3PO4/In2S3, resulting in an enhancement of photoelectric behavior. The origin of the enhanced photoelectrochemical activity of the In2S3-modified Ag3PO4 may be due to the improved charge separation, photocurrent stability and oriented electrons transport pathways in environment and energy applications.

Recent Progress in Air Conditioning and Refrigeration Research: A Review of Papers Published in the Korean Journal of Air-Conditioning and Refrigeration Engineering in 2006 (공기조화, 냉동 분야의 최근 연구 동향: 2006년 학회지 논문에 대한 종합적 고찰)

  • Han, Hwa-Taik;Shin, Dong-Sin;Choi, Chang-Ho;Lee, Dae-Young;Kim, Seo-Young;Kwon, Yong-Il
    • Korean Journal of Air-Conditioning and Refrigeration Engineering
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    • v.20 no.6
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    • pp.427-446
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    • 2008
  • A review on the papers published in the Korean Journal of Air-Conditioning and Refrigeration Engineering in 2006 has been accomplished. Focus has been put on current status of research in the aspect of heating, cooling, ventilation, sanitation and building environments. The conclusions are as follows. (1) The research trends of fluid engineering have been surveyed as groups of general fluid flow, fluid machinery and piping, etc. New research topics include micro heat exchanger and siphon cooling device using nano-fluid. Traditional CFD and flow visualization methods were still popular and widely used in research and development. Studies about diffusers and compressors were performed in fluid machinery. Characteristics of flow and heat transfer and piping optimization were studied in piping systems. (2) The papers on heat transfer have been categorized into heat transfer characteristics, heat exchangers, heat pipes, and two-phase heat transfer. The topics on heat transfer characteristics in general include thermal transport in a cryo-chamber, a LCD panel, a dryer, and heat generating electronics. Heat exchangers investigated include pin-tube type, plate type, ventilation air-to-air type, and heat transfer enhancing tubes. The research on a reversible loop heat pipe, the influence of NCG charging mass on heat transport capacity, and the chilling start-up characteristics in a heat pipe were reported. In two-phase heat transfer area, the studies on frost growth, ice slurry formation and liquid spray cooling were presented. The studies on the boiling of R-290 and the application of carbon nanotubes to enhance boiling were noticeable in this research area. (3) Many studies on refrigeration and air conditioning systems were presented on the practical issues of the performance and reliability enhancement. The air conditioning system with multi indoor units caught attention in several research works. The issues on the refrigerant charge and the control algorithm were treated. The systems with alternative refrigerants were also studied. Carbon dioxide, hydrocarbons and their mixtures were considered and the heat transfer correlations were proposed. (4) Due to high oil prices, energy consumption have been attentioned in mechanical building systems. Research works have been reviewed in this field by grouping into the research on heat and cold sources, air conditioning and cleaning research, ventilation and fire research including tunnel ventilation, and piping system research. The papers involve the promotion of efficient or effective use of energy, which helps to save energy and results in reduced environmental pollution and operating cost. (5) Studies on indoor air quality took a great portion in the field of building environments. Various other subjects such as indoor thermal comfort were also investigated through computer simulation, case study, and field experiment. Studies on energy include not only optimization study and economic analysis of building equipments but also usability of renewable energy in geothermal and solar systems.

Discharged Maximum Current Density of Vanadium Redox Flow Battery with Increased Electrolyte Flow Rate (바나듐계 산화-환원 유동 전지의 최대 방전전류와 유량의 상관성에 대한 실험적 연구)

  • Kim, Jung Myoung;Park, Hee Sung
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.40 no.12
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    • pp.777-784
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    • 2016
  • All-vanadium redox flow batteries (VRFBs) are used as energy storage systems for multiple intermittent power sources. The performance of the VRFBs depends on the materials and operating conditions. Hence, performance characterization is of great importance in the development of the VRFBs. This paper proposes a method for determining the maximum current density based on stoichiometric ratios. A laboratory-scaled VRFB with a projected electrode area of $25cm^2$ is electrically charged when the state of the charge has begun from 0.6. The operating conditions, such as current density and volumetric flow rate are important in the test, and the maximum current density is influenced by the mass transfer coefficient. The results show that increasing the electrolyte flow rate from 5 mL/min to 60 mL/min enhances the maximum current density up to $520mA/cm^2$.

Simulation on the Change of Practice Pattern after the Introduction of 7 Diagnosis-related Groups Prospective Payment System in a University Hospital (7개 질병군 포괄수가제 도입에 따른 일개 대학병원의 진료행태 변화 모의실험)

  • Shin, Sam-Chul;Kang, Gil-Won;Kim, Sang-Won
    • Health Policy and Management
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    • v.23 no.2
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    • pp.103-111
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    • 2013
  • Seven diagnosis-related groups (DRGs) prospective payment system is going to expand to all hospitals including university hospitals this year. However there are few studies on the change of practice pattern under prospective payment system in the university hospital setting. So This study was intended to predict the practice pattern change after the introduction of 7 DRGs prospective payment system in a university hospital setting. To predict the change of practice pattern, this study used simulation technique. Five hundred and nineteen patients classified as 5 DRGs in a university hospital were selected for simulation. The change of practice pattern were predicted based on clinicians' opinion. We also predicted payment change by service items. Major findings of this study are as follows. First, the total medical payment was reduced by 14.4%. The drug payment change (8.8%) took most of total payment reduction. The followings are the change of treatment material cost (3.2%), the change of laboratory tests cost (1.8%), the change of room charge (0.5%), and other payment change (0.1%), respectively. Second, most of the reduction in total medical payment resulted from the decreased amount of medical services themselves. The transfer of medical services to outpatient setting took up only 4.9% of the total payment reduction. The change of unit price or composition took up 5.5% of the total payment reduction. In this study we found that it is possible to reduce the inpatient services through practice pattern change in university hospital setting. However, it needs to be careful to adjust DRG payment after the reduction of provided services, because most of reduction was not due to service transfer but to service volume reduction. It is desirable to utilize the saving from practice pattern change as incentive to improve quality of care.

Emission Detection of Mercuric Ions in Aqueous Media Based-on Dehybridization of DNA Duplexes

  • Oh, Byul-Nim;Wu, Qiong;Cha, Mi-Sun;Kang, Hee-Kyung;Kim, Jin-Ah;Kim, Ka-Young;Rajkumar, Eswaran;Kim, Jin-Heung
    • Bulletin of the Korean Chemical Society
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    • v.32 no.9
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    • pp.3223-3228
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    • 2011
  • To quantify the presence of mercuric ions in aqueous solution, double-stranded DNA (dsDNA) of poly(dT) was employed using a light switch compound, $Ru(phen)_2(dppz)^{2+}$ (1) which is reported to intercalate into dsDNA of a right-handed B-form. Addition of mercuric ions induced the dehybridization of poly(dT)${\cdot}$poly(dA) duplexes to form a hairpin structure of poly(dT) at room temperature and the metal-to-ligand charge transfer emission derived from the intercalation of 1 was reduced due to the dehybridization of dsDNA. As the concentration of $Hg^{2+}$ was increased, the emission of 1 progressively decreased. This label-free emission method had a detection limit of 0.2 nM. Other metal ions, such as $K^+$, $Ag^+$, $Ca^{2+}$, $Mg^{2+}$, $Zn^{2+}$, $Mn^{2+}$, $Co^{2+}$, $Ni^{2+}$, $Cu^{2+}$, $Cd^{2+}$, $Cr^{3+}$, $Fe^{3+}$, had no significant effect on reducing emission. This emission method can differentiate matched and mismatched poly(dT) sequences based on the emission intensity of dsDNA.