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Dissipative Particle Dynamics Simulation on the Formation Process of CeO2 Nanoparticles in Alcohol Aqueous Solutions
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  • Dissipative Particle Dynamics Simulation on the Formation Process of CeO2 Nanoparticles in Alcohol Aqueous Solutions
  • Dissipative Particle Dynamics Simulation on the Formation Process of CeO2 Nanoparticles in Alcohol Aqueous Solutions
저자명
Zhang. Qi,Zhong. Jing,Yang. Bao-Zhu,Huang. Wei-Qiu,Chen. Ruo-Yu,Liao. Jun-Min,Gu. Chi-Ruei,Chen. Cheng-Lung
간행물명
대한화학회지
권/호정보
2012년|56권 4호|pp.431-439 (9 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
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기타
이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

Dissipative particle dynamics (DPD) was carried out to study the nucleation and crystal growth process of $CeO_2$ nanoparticles in different alcohol aqueous solutions. The results showed that the nucleation and crystal growth process of $CeO_2$ can be classified into three stages: nuclei growth, crystal stabilization and crystal aggregation except the initial induction stage, which could be reproduced by collecting simulation results after different simulation time. Properly selecting the sizes of $CeO_2$ and water bead was crucial in the simulation system. The influence of alcohol type and content in solutions, and precipitation temperature on the particle dimension were investigated in detail and compared with the experimental results. The consistency between simulation results and experimental data verify that the simulation can reproduce the macroscopic particle aggregation process. The effect of solvent on the nucleation and crystal growth of $CeO_2$ nanoparticles are different at three stages and can not be simply described by Derjaguin-Landau-Verwey-Overbeek (DLVO) theory or nucleation thermodynamics theory. Our work demonstrated that DPD methods can be applied to study nanoparticle forming process.