• Title/Summary/Keyword: Exchange-Coupled

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Magnetic Exchange Interactions in a 2D Grid-like Copper(II) Polymer with Bridging End-on Cyanato and Pyrazine Ligands: A DFT Study

  • Kang, Dae-Bok
    • Bulletin of the Korean Chemical Society
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    • v.31 no.6
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    • pp.1704-1710
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    • 2010
  • The structure of a 2D grid-like copper(II) complex [Cu$(NCO)_2$(pyz)](pyz=pyrazine) (1) consists of 1D chains of Cu-pyz units connected by double end-on (EO) cyanato bridges. Each Cu(II) ion has a distorted octahedral coordination, completed by the four EO cyanato and two pyrazine ligands. Magnetic interactions through EO cyanato and pyrazine bridges in 1 are discussed on the basis of DFT broken-symmetry calculations at the B3LYP level. For model dicopper(II) complexes I (bridged by cyanato) and II (bridged by pyrazine), electronic structure calculations reproduce very well the experimental couplings for the S = 1/2 ferromagnetic and antiferromagnetic exchange-coupled 2D system: the calculated exchange parameters J are +1.25 $cm^{-1}$ and -3.07 $cm^{-1}$ for I and II, respectively. The $\sigma$ orbital interactions between the Cu $x^2-y^2$ magnetic orbitals and the nitrogen lone-pair orbitals of pyrazine are analyzed from the viewpoint of through-bond interaction. The energy splitting of 0.106 eV between two SOMOs indicates that the superexchange interaction should be antiferromagnetic in II. On the other hand, there are no bridging orbitals that efficiently connect the two copper(II) magnetic orbitals in I because the HOMOs of the basal-apical NCO bridge do not play a role in the formation of overlap interaction pathway. The energy separation in the pair of SOMOs of I is calculated to be very small (0.054 eV). This result is consistent with the occurrence of weakly ferromagnetic properties in I.

Study on Thermal Stress Occurred in Concrete Energy Pile During Heating and Cooling Buildings (냉난방 가동 모사에 따른 콘크리트 에너지파일의 열응력 해석에 대한 연구)

  • Sung, Chihun;Park, Sangwoo;Kim, Byungyeon;Jung, Kyoungsik;Choi, Hangseok
    • Journal of the Korean Society for Geothermal and Hydrothermal Energy
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    • v.11 no.2
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    • pp.12-18
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    • 2015
  • The energy pile, used for both structural foundations and heat exchangers, brings about heat exchange with the ground formation by circulating a working fluid for heating and cooling buildings. As heat exchange occurs in the energy pile, thermal stress and strain is generated in the pile body and surrounding ground formation. In order to investigate the thermo-mechanical behavior of an energy pile, a comprehensive experimental program was conducted, monitoring the thermal stress of a cast-in place energy pile equipped with five pairs of U-type heat exchanger pipes. The heating and cooling simulation both continued for 30 days. The thermal strain in the longitudinal direction of the energy pile was monitored for a 15 operation days and another 15 days monitoring followed, without the application of heat exchange. In addition, a finite element model was developed to simulate the thermo-mechanical behavior of the energy pile. A non-linear contact model was adopted to interpret the interaction at the pile-soil interface, and thermal-induced structure mechanics was considered to handle the thermo-mechanical coupled multi-field problem.

MICROMAGNETISM OF HARD AND SOFT MAGNETIC MATERIALS

  • Kronmuller, Helmut
    • Journal of the Korean Magnetics Society
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    • v.5 no.5
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    • pp.366-371
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    • 1995
  • High performance magnetic materials are characterized by the combination of outstanding magnetic properties and optimized microstructures, e.g., nanocrystalline composites of multilayers and small particle systems. The characteristic parameters of the hysteresis loops of these materials vary over more than a factor of $10^{6}$ with optimum values for the coercive field of several Tesla and permeabilities of $10^{6}$. Within the framework of the computational micromagnetism (nanomagnetism) using the finite element method the upper and lower bounds of the coercive field of different types of grain ensembles and multilayers have been determined. For the case of nanocrystalline composites the role of grain size, exchange and dipolar coupling between grains and the degree of grain alignment will be discusses in detail. It is shown that the largest coercivities are obtained for exchange decoupled grains, whereas remanence enhancing requires exchange coupled grains below 20 nm. For composite permanent magnets based on $Nd_{2}Fe_{14}B$ with an amount of ~ 50% soft $\alpha$-Fe-phase coercivities of ${\mu}_{0}H_{c}=0.75\;T$, a remanence of 1.5 T and an energy product of $400\;kJ/m^{3}$ is expected. In nanocrystalline systems the temperature dependence of the coercivity is well described by the relation ${\mu}_{0}H_{c}=(2\;K_{1}/M_{s}){\alpha}-N_{eff}{\mu}_{0}M_{s}$, where the microstructural parameters $\alpha$ and $N_{eff}$ take care of the short-range perturbations of the anisotropy and $N_{eff}$ is related to the long-range dipolar interactions. $N_{eff}$ is found to follow a logarithmic grain size size dependence ${\mu}_{0}H_{c}=(2\;K_{1}/M_{s}){\alpha}-N_{eff}(\beta1nD){\mu}_{0}M_{s}$. Several trends how to achieve the ideal situation $\alpha$->1 and $N_{eff}$->1->0 will be discussed.

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Fabrication of K-PHI Zeolite Coated Alumina Hollow Fiber Membrane and Study on Removal Characteristics of Metal Ions in Lignin Wastewater

  • Zhuang, XueLong;Shin, Min Chang;Jeong, Byeong Jun;Lee, Seung Hwan;Park, Jung Hoon
    • Korean Chemical Engineering Research
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    • v.59 no.2
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    • pp.174-179
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    • 2021
  • Recently, hybrid coal research is underway to upgrade low-grade coal. The hybrid coal is made by mixing low-grade coal with bioliquids such as molasses, sugar cane, and lignin. In the case of lignin used here, a large amount of lignin is included in the wastewater of the papermaking process, and thus, research on hybrid coal production using the same is attracting attention. However, since a large amount of metal ions are contained in the lignin wastewater from the papermaking process, substances that corrode the generator are generated during combustion, and the amount of fly ash is increased. To solve this problem, it is essential to remove metal ions in the lignin wastewater. In this study, metal ions were removed by ion exchange with a alumina hollow fiber membrane coated with K-Phillipsite (K-PHI) zeolite. The alumina hollow fiber membrane used as the support was prepared by the nonsolvent induced phase separation (NIPS) method, and K-PHI seeds were prepared by hydrothermal synthesis. The prepared K-PHI seed was seeded on the surface of the support and coated by secondary growth hydrothermal synthesis. The characteristic of prepared coating membrane was analyzed by Scanning Electron Microscope (SEM), X-Ray Diffraction (XRD), Energy Dispersive Spectroscopy (EDX), and the concentration of metal ions before and after ion exchange was measured by Inductively Coupled Plasma Optical Emission Spectrometer (ICP-OES). The extraction amount of K+ is 86 mg/kg, and the extraction amount of Na+ is 54.9 mg/kg. Therefore, K-PHI zeolite membrane has the potential to remove potassium and sodium ions from the solution and can be used in acidic lignin wastewater.

Exchange-coupling Interaction and Magnetic Properties of BaFe12O19/Ni0.5Zn0.5Fe2O4 Nanocomposite Ferrite (BaFe12O19/Ni0.5Zn0.5Fe2O4 나노복합체 Ferrite의 Exchange-coupling 상호 작용과 자기 특성)

  • Oh, Young-Woo
    • Journal of the Korean Magnetics Society
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    • v.24 no.3
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    • pp.81-85
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    • 2014
  • Nano-sized Ba-ferrite, Ni-Zn ferrite and $BaFe_{12}O_{19}/Ni_{0.5}Zn_{0.5}Fe_2O_4$ nanocomposite ferrite were prepared by sol-gel combustion method. Nanocomposite was calcined at temperature range of $600{\sim}900^{\circ}C$ for 1 h. According to the diffraction patterns, hard/soft nanocomposite was indicated to the coexistence of the magnetoplumbite structural $BaFe_{12}O_{19}$ and spinel $Ni_{0.5}Zn_{0.5}Fe_2O_4$ and agree with the standard data (JCPDS 10-0325). The particle size of nanocomposite turn out to be less than 90 nm. The nanocomposite ferrite shows a single-phase magnetization behavior, implying that the hard magnetic phase and soft magnetic phase were well exchange-coupled. The specific saturation magnetization ($M_s$) of the nanocomposite is located between hard ($BaFe_{12}O_{19}$) and soft ferrite ($Ni_{0.5}Zn_{0.5}Fe_2O_4$). The remanence (Mr) of nanocomposite ferrite is much higher than that for the individual $BaFe_{12}O_{19}$ and $Ni_{0.5}Zn_{0.5}Fe_2O_4$ ferrite. $(BH)_{max}$ is increased, generally.

Cellulose Nanocrystals Incorporated Poly(arylene piperidinium) Anion Exchange Mixed Matrix Membranes (셀룰로오스 나노 결정을 도입한 폴리아릴렌 피페리디늄 음이온 교환 복합매질분리막)

  • Da Hye Sim;Young Park;Young-Woo Choi;Jung Tae Park;Jae Hun Lee
    • Membrane Journal
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    • v.34 no.2
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    • pp.154-162
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    • 2024
  • Anion exchange membranes (AEMs) are essential components in water electrolysis systems, serving to physically separate the generated hydrogen and oxygen gases while enabling the selective transport of hydroxide ions between electrodes. Key characteristics sought in AEMs include high ion conductivity and robust chemical and mechanical stability in alkaline. In this study, quaternized Poly(terphenyl piperidinium)/cellulose nanocrystals (qPTP/CNC) mixed matrix membrane was fabricated. The polymer matrix, PTP, was synthesized via super-acid polymerization, known for its excellent ion conductivity and alkaline durability. The qPTP/CNC membrane showed a dense and uniform morphology without significant voids or large aggregates at the polymer-nanoparticle interface. The qPTP/CNC membrane containing 2 wt% CNC demonstrated a high ion exchange capacity of 1.90 mmol/g, coupled with low water uptake (9.09%) and swelling ratio (5.56%). Additionally, the qPTP/CNC membrane showed significantly lower resistance and superior alkaline stability (384 hours at 50℃ in 1 M KOH) compared to the commercial FAA-3-50 membrane. These results highlight the potential of hydrophilic additive CNC in enhancing ion conductivity and alkaline durability of ion exchange membranes.

Modeling of Sediment and Phosphorous Transport in a River Channel (하천 내 유사와 인 이동에 관한 모델링)

  • Kim, Kyunghyun
    • Journal of Korean Society on Water Environment
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    • v.26 no.2
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    • pp.332-342
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    • 2010
  • A model has been developed to investigate in-river sediment and phosphorus dynamics. This advective-dispersive model is coupled with hydrodynamics and sediment transport submodels to simulate suspended sediment, total dissolved phosphorus, total phosphorus, and particulate phosphorus concentrations under unsteady flow conditions. It emphasizes sediment and phosphorus dynamics in unsteady flow conditions, in which the study differs from many previous solute transport studies, conducted in relatively steady flow conditions. The diffusion wave approaximation was employed for unsteady flow simulations. The first-order adsorption and linear adsorption isotherm model was used on the basis of the three-layered riverbed submodel with riverbed sediment exchange and erosion/deposition processes. Various numerical methods were tested to select a method that had minimal numerical dispersion under unsteady flow conditions. The responses of the model to the change of model parameter values were tested as well.

Aero-acoustic Performance Analysis Method of Regenerative Blower (재생형 송풍기의 공력음향학적 성능 해석 방법)

  • Lee, Chan;Kil, Hyun Gwon;Kim, Gang Chun;Kim, Jun Gon;Ma, Jae Hyun;Chung, Kyung Ho
    • The KSFM Journal of Fluid Machinery
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    • v.16 no.2
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    • pp.15-20
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    • 2013
  • An aero-acoustic performance analysis method of regenerative blower is developed as one of the FANDAS codes. The aerodynamic performance of regenerative blower is predicted by using momentum exchange theory coupled with pressure loss and leakage flow models. Based on the performance prediction results, the noise level and spectrum of regenerative blower are predicted by discrete frequency and broadband noise models. The combination of the performance and the noise prediction methods gives aero-acoustic performance map and noise spectrum analysis results, which are well-agreed with the actual measurement results within a few percent relative error.

Cloning, Expression, and Renaturation Studies of Reteplase

  • Zhao, Youchun;Ge, Wang;Kong, Young;Zhang, Changkai
    • Journal of Microbiology and Biotechnology
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    • v.13 no.6
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    • pp.989-992
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    • 2003
  • Recombinant human tissue plasminogen activator deletion mutein (Reteplase) is a clinically promising thrombolytic drug. Reteplase cDNA was subcloned into a bacteria expression system, and the resultant recombinant was biologically characterized. The Reteplase was expressed in Escherichia coli as an inclusion body, and the downstream processes of the Reteplase inclusion body included denaturation, renaturation, and purification. A protein disulfide isomerase (PDI) was used to assist the refolding of Reteplase, and it was found to increase the refolding rate from less than 2% to more than 20%. The refolded Reteplase was purified through two chromatography steps, including lysine-coupled agarose affinity chromatography and then CM-sepharose cation-exchange chomatography. The purity of r-PA was analyzed by Western bolt analysis, and N-terminal amino acid and amino acid composition analyses confirmed the end-product. Reteplase showed higher thrombolytic potency in an animal thrombus model.

Efficient Data Distribution Service in CPS (CPS에서 효율적인 데이터분배 기술)

  • Lee, Soo-Hyung;Kim, Won-Tae;Ryou, Jae-Cheol
    • IEMEK Journal of Embedded Systems and Applications
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    • v.7 no.5
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    • pp.241-246
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    • 2012
  • As the convergence between the conventional physical systems and IT computing resource is increased, the new paradigm of embedded system called Cyber Physical System (CPS) emerged. CPSs have many sensors, actuators and computing devices to understand and to control the physical system. As these all components are tightly coupled each other, standardized middleware such as Data Distribution Service (DDS) is considered to be deployed. But DDS takes too long time to discover each other in the large-scal CPS environment and has not precise specification of its execution architecture to provide efficient data exchange. In this paper, we design the efficient DDS architecture for development with interoperability to provide the high reliable data distribution. in real-time and propose the communication entity discovery procedure.