• 제목/요약/키워드: Diffusion models

검색결과 601건 처리시간 0.021초

Drug adsorption and anti-microbial activity of functionalized multiwalled carbon nanotubes

  • Saxena, Megha;Mittal, Disha;Boudh, Richa;Kumar, Kapinder;Verma, Anita K.;Saxena, Reena
    • Advances in nano research
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    • 제11권6호
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    • pp.667-678
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    • 2021
  • Multiwalled carbon nanotubes (MWCNTs) were first oxidized (O-CNTs) to introduce carboxylic group and then further functionalized (F-CNTs) with m-phenylenediamine, which was confirmed by FTIR and SEM. It was used as an effective adsorbent for the adsorptive removal of diclofenac drug from water. Under optimum conditions of pH 6, stirring speed 600 rpm, the maximum adsorption capacity obtained was 532 mg g-1 which is superior to the values reported in literature. The adsorption was quite rapid as 25 mg L-1 drug solution was adsorbed in only 3 minutes of contact time with 10 mg of adsorbent dose. The adsorption kinetics and isotherms were studied using various models to evaluate the adsorption process. The results showed that the data best fit in kinetics pseudo-second order and Langmuir isotherm model. Furthermore, the oxidized and functionalized MWCNTs were applied on gram-negative Escherichia coli and gram-positive Staphylococcus aureus using agar disc diffusion assay to validate their anti-microbial activity. Results were unique as both oxidized and functionalized MWCNTs were equally active against both E. coli and S. aureus. The newly synthesized F-CNTs have great potential in water treatment, with their dual action of removing drug and pathogens from water, makes it potential applicant to save environment.

Fractal kinetic characteristics of uranium leaching from low permeability uranium-bearing sandstone

  • Zeng, Sheng;Shen, Yuan;Sun, Bing;Tan, Kaixuan;Zhang, Shuwen;Ye, Wenhao
    • Nuclear Engineering and Technology
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    • 제54권4호
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    • pp.1175-1184
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    • 2022
  • The pore structure of uranium-bearing sandstone is one of the critical factors that affect the uranium leaching performance. In this article, uranium-bearing sandstone from the Yili Basin, Xinjiang, China, was taken as the research object. The fractal characteristics of the pore structure of the uranium-bearing sandstone were studied using mercury intrusion experiments and fractal theory, and the fractal dimension of the uranium-bearing sandstone was calculated. In addition, the effect of the fractal characteristics of the pore structure of the uranium-bearing sandstone on the uranium leaching kinetics was studied. Then, the kinetics was analyzed using a shrinking nuclear model, and it was determined that the rate of uranium leaching is mainly controlled by the diffusion reaction, and the dissolution rate constant (K) is linearly related to the pore specific surface fractal dimension (DS) and the pore volume fractal dimension (DV). Eventually, fractal kinetic models for predicting the in-situ leaching kinetics were established using the unreacted shrinking core model, and the linear relationship between the fractal dimension of the sample's pore structure and the dissolution rate during the leaching was fitted.

Computer simulation study for the effect of potential energy on the behavior of grain boundary using Molecular dynamics

  • Choi, Dong-Youl;Kim, Hyun-Soo;Kim, Young-Suk;Tomita, Yoshihiro
    • 한국소성가공학회:학술대회논문집
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    • 한국소성가공학회 1999년도 춘계학술대회논문집
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    • pp.173-178
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    • 1999
  • In this study MD simulations have been performed to observe the behavior of a grain boundary in an a-Fe plate under 2-dimensional loading. In MD simulation the acceleration of every molecule can be achieved from the potential energy and the force interacting between each molecule and the integration of the motion equation by using Verlet method gives the displacement of each molecule. Initially four a-Fe rectangular plates having different misorientation angles of grain boundary were modeled by using the Johnson potential and Morse potential We compared the potential energy of the grain boundary system with that of the perfect structure model. Also we could obtain the width of the grain boundary by investigating the local potential energy distribution. The tensile loading for each grain boundary models was applied and the behavior of grin boundary was studied. From this study it was clarified that in the case using Johnson potential the obvious fracture mechanism occurs along the grain boundary in the case of Morse potential the diffusion of the grain boundary appears instead of the grain boundary fracture.

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Remedy for ill-posedness and mass conservation error of 1D incompressible two-fluid model with artificial viscosities

  • Byoung Jae Kim;Seung Wook Lee;Kyung Doo Kim
    • Nuclear Engineering and Technology
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    • 제54권11호
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    • pp.4322-4328
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    • 2022
  • The two-fluid model is widely used to describe two-phase flows in complex systems such as nuclear reactors. Although the two-phase flow was successfully simulated, the standard two-fluid model suffers from an ill-posed nature. There are several remedies for the ill-posedness of the one-dimensional (1D) two-fluid model; among those, artificial viscosity is the focus of this study. Some previous works added artificial diffusion terms to both mass and momentum equations to render the two-fluid model well-posed and demonstrated that this method provided a numerically converging model. However, they did not consider mass conservation, which is crucial for analyzing a closed reactor system. In fact, the total mass is not conserved in the previous models. This study improves the artificial viscosity model such that the 1D incompressible two-fluid model is well-posed, and the total mass is conserved. The water faucet and Kelvin-Helmholtz instability flows were simulated to test the effect of the proposed artificial viscosity model. The results indicate that the proposed artificial viscosity model effectively remedies the ill-posedness of the two-fluid model while maintaining a negligible total mass error.

Comparative study of Pb (II) adsorption from water on used cardboard and powdered activated carbon

  • Benhafsa, Fouad. Mekhalef;Bouchama, Abdelghani.;Chadli, Aicha.;Tadjer, Belgacem.;Addad, Djelloul.
    • Membrane and Water Treatment
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    • 제13권2호
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    • pp.73-83
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    • 2022
  • In the present study, we compared the adsorption capacity of Pb (II) from contaminated water of used cardboard (UC) and a commercial powdered activated carbon (PAC), the latter has been characterized by different techniques, namely X-ray diffraction (XRD), scanning electron microscopy with energy dispersive spectroscopy (SEM/EDS), wavelength dispersion x-ray fluorescence (WDXRF), infrared spectroscopy (IR) and surface area B.E.T analyzer. The effect of various parameters, such as the pH, the contact time, the amount of adsorbent, and the temperature on the adsorption of Pb (II) on both materials was investigated. The Pb (II) adsorptions are perfectly described by a pseudo-second-order model, while the intraparticle diffusion is a decisive step after the first minutes of contact. The fit to the Langmuir and Redlich-Peterson models seems perfect for these adsorption reactions. (PAC) showed a greater affinity for Pb (II) compared to (UC) and the adsorption of Pb (II) ions is strongly pH-dependent, on the other hand, the increase in temperature doesn't have much influence on the two solids. This study showed that the capacity of (UC) to adsorb Pb (II) from an aqueous solution is greater than two-thirds of that of (PAC).

Numerical simulation on integrated curing-leaching process of slag-blended cement pastes

  • Xiang-Nan Li;Xiao-Bao Zuo;Yu-Xiao Zou;Guang-Pan Zhou
    • Computers and Concrete
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    • 제32권1호
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    • pp.45-60
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    • 2023
  • Concrete in water environment is easily subjected to the attack of leaching, which causes its mechanical reduction and durability deterioration, and the key to improving the leaching resistance of concrete is to increase the compaction of its microstructure formed by the curing. This paper performs a numerical investigation on the intrinsic relationship between microstructures formed by the hydration of cement and slag and leaching resistance of concrete in water environment. Firstly, a shrinking-core hydration model of blended cement and slag is presented, in which the interaction of hydration process of cement and slag is considered and the microstructure composition is characterized by the hydration products, solution composition and pore structure. Secondly, based on Fick's law and mass conservation law, a leaching model of hardened paste is proposed, in which the multi-species ionic diffusion equation and modified Gérard model are established, and the model is numerically solved by applying the finite difference method. Finally, two models are combined by microstructure composition to form an integrated curing-leaching model, and it is used to investigate the relationship between microstructure composition and leaching resistance of slag-blended cement pastes.

A Research on 3D Texture Production Using Artificial Intelligence Softwear

  • Ke Ma;Jeanhun Chung
    • International Journal of Internet, Broadcasting and Communication
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    • 제15권4호
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    • pp.178-184
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    • 2023
  • AI image generation technology has become a popular research direction in the field of AI, which is widely used in the field of digital art and conceptual design, and can also be used in the process of 3D texture mapping. This paper introduces the production process of 3D texture mapping using AI image technology, and discusses whether it can be used as a new way of 3D texture mapping to enrich the 3D texture mapping production process. Two AI deep learning models, Stable Diffusion and Midjourney, were combined to generate high-quality AI textures. Finally, the lmage to material function of substance 3D Sampler was used to convert the AI-generated textures into PBR 3D texture maps. And applied in 3D environment. This study shows that 3D texture maps generated by AI image generation technology can be used in 3D environment, which not only has short production time and high production efficiency, but also has rich changes in map styles, which can be quickly adjusted and modified according to the design scheme. However, some AI texture maps need to be manually modified before they can be used. With the continuous development of AI technology, there will be great potential for further development and innovation of AI-generated image technology in the 3D content production process in the future.

Cross section generation for a conceptual horizontal, compact high temperature gas reactor

  • Junsu Kang;Volkan Seker;Andrew Ward;Daniel Jabaay;Brendan Kochunas;Thomas Downar
    • Nuclear Engineering and Technology
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    • 제56권3호
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    • pp.933-940
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    • 2024
  • A macroscopic cross section generation model was developed for the conceptual horizontal, compact high temperature gas reactor (HC-HTGR). Because there are many sources of spectral effects in the design and analysis of the core, conventional LWR methods have limitations for accurate simulation of the HC-HTGR using a neutron diffusion core neutronics simulator. Several super-cell model configurations were investigated to consider the spectral effect of neighboring cells. A new history variable was introduced for the existing library format to more accurately account for the history effect from neighboring nodes and reactivity control drums. The macroscopic cross section library was validated through comparison with cross sections generated using full core Monte Carlo models and single cell cross section for both 3D core steady-state problems and 2D and 3D depletion problems. Core calculations were then performed with the AGREE HTR neutronics and thermal-fluid core simulator using super-cell cross sections. With the new history variable, the super-cell cross sections were in good agreement with the full core cross sections even for problems with significant spectrum change during fuel shuffling and depletion.

구조토양에서의 침출수와 잔존수농도의 파과곡선에 관한 비교연구 (COMPARISON OF FLUX AND RESIDENT CONCENTRATION BREAKTHROUGH CURVES IN STRUCTURED SOIL COLUMNS)

  • Kim, Dong-Ju
    • 한국토양환경학회지
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    • 제2권2호
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    • pp.81-94
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    • 1997
  • 오염물질 이동현상 연구에서는 침출수 혹은 잔존수농도 형태가 사용되는데 이의 선택은 모니터링 방법에 의존하게 된다. 파과곡선 실험에서 모니터링 농도 형태에 관한 선택은 임의적이며, 각 농도 형태에서 얻어진 운송 파라미터들은 동등하며 다공성매질의 수리적 특성을 각각 대표하는 것으로 알려져왔다. 그러나, 현장상태의 구조적 발달을 보이는 토양에서는 농도 형태별 운송계수의 동등성이 의문시 된다. 본 연 구에서는 불교란 현장시료(직경 20cm, 높이 20cm)에 대하여 두가지 농도 형태에 의한 파과곡선 실험을 시행하므로써 모니터링 방법에 따른 농도 형태와 그에 따른 운송 파라미터들을 비교분석 하였다. 침출수 농도와 잔존수 농도는 토양상부에서 20cm와 loom 떨어진 지점에서 EC-meter와 TDR 을 이용하여 각각 측정하였다. 연구결과, 침출수 농도는 잔존수 농도보다 첨두농도가 훨씬 높게 그리고 첨두농도의 운송시간이 짧게 나타났음을 알 수 있었다. 따라서 침출수농도곡선으로부터 추정된 운송파 라미터들은 잔존수농도곡선으로부터 추정된 수치들과 상당한 차이를 보였으며 그 차이는 CLT 모델보다 CDE 모델에서 더 크게 나타났다. 특히 CDE 모델에서는 침출수곡선으로부터 도출된 계수값들이 잔존수곡선으로부터 도출된 계수값들보다 훨씬 크게 나타났다. 이는 구조토양내에 존재하고 있는 대공극을 통한 오염물질 우회통과와 평형조건에서의 CDE 모델이 연구대상토양에서의 오염물질 이동현상을 표현하는데 부적합하였기 때문인 것으로 사료된다. 분자 분산에 대한 동수리학적 확산의 비와 Peclet number와의 상관관계를 나타내는 도표영역에서 두가지 농도는 모두 역학적 확산이 오염물질 운송을 좌우하는 영역에 속하였다. 그러나 분자분산은 토양내 대공극부분보다 matrix 부분에서의 오염물질 확산에 더 많은 기여를 하는 것으로 나타났으며 이는 공극유속과 확산계수사이에 존재하는 비선형성에 기인하기 때문인 것으로 사료된다.

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알렌 마우스 브레인 아틀라스를 이용한 반자동 신경섬유지도 분석 : 여기수와 신호대잡음비간의 DTI 획득 비교 (Semi-automated Tractography Analysis using a Allen Mouse Brain Atlas : Comparing DTI Acquisition between NEX and SNR)

  • 임상진;백현만
    • 한국방사선학회논문지
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    • 제14권2호
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    • pp.157-168
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    • 2020
  • 자기공명영상(Magnetic Resonance Image)을 이용한 구조적 연구 방법에서 뇌 구조 세분화 방법은 최근 빠르게 발전하여 구조 이미지의 자동 분할을 위한 유능한 방법론이 되었다. 특히 아틀라스 정보를 이미지에 등록해 피사체의 이미지로 전달하는 분할(Segmentation) 방법은 아틀라스(Atlas)의 정확도에 편향되기 때문에 높은 정확도를 갖고 있는 아틀라스가 필요하게 된다. 알렌 마우스 뇌 아틀라스(Allen Mouse Brain Atlas)는 마우스의 아틀라스 중에서 높은 정확도를 갖고 있어 다양한 분야에서 사용되고 있으며, 신경섬유지도(Tractography)에 필수적인 마우스 뇌구조의 정확한 좌표와 분할 정보를 제공할 수 있다. 또한 기능적 연구 방법인 뇌의 백질 경로를 재구성하는 확산텐서영상(Diffusion Tensor Image)에 대한 확률론적 신경섬유지도를 사용하여 포괄적인 뉴런 네트워크를 매핑 하였다. 인간의 뇌 연구 결과와 마우스의 뇌 연구 결과는 비교분석 할 수 있어 인간에게 적용하기 어려운 실험들을 질환이 모델링된 마우스를 통해 결과를 얻어 임상적으로 이용이 가능하기 때문에 마우스 실험의 중요성이 올라가고 있다. 하지만 마우스를 이용한 연구에서 인간과 마우스의 뇌 크기 차이로 인한 문제가 있어 동등한 영상의 질을 달성하려면 다양한 조건이 필요하게 되며, 그중 대표적으로 충분히 긴 스캔시간이 필요하게 된다. 충분히 긴 스캔시간을 확보하기 위해 본 연구에서는 마우스의 뇌를 샘플화시켜 Ex-vivo 실험이 진행되었으며, 마우스 커넥톰(Connectome) 매핑에 대한 참조를 제공하기 위해 이 연구는 아틀라스 정규화 도구인 ANTx와 확산 텐서 영상을 분석할 도구인 FSL을 사용하여 마우스 뇌의 반자동 분할 및 신경섬유지도 분석 파이프라인을 제시하여 다양한 마우스 모델에 적용하고자 했다. 또한, 신경섬유지도 분석을 위해 획득하는 확산텐서영상의 유용한 신호대 잡음비를 결정하기 위해 다양한 여기수의 영상을 획득해 비교분석하였다.