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气相纳米颗粒合成建模的多尺度方面

Multiscale Aspects of Modeling Gas-Phase Nanoparticle Synthesis.

作者信息

Buesser B, Gröhn A J

机构信息

Particle Technology Laboratory, Institute of Process Engineering Department of Mechanical and Process Engineering ETH Zurich, 8092 Zürich, Switzerland.

出版信息

Chem Eng Technol. 2012 Jul;35(7):1133-1143. doi: 10.1002/ceat.201100723.

DOI:10.1002/ceat.201100723
PMID:23729992
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3667484/
Abstract

Aerosol reactors are utilized to manufacture nanoparticles in industrially relevant quantities. The development, understanding and scale-up of aerosol reactors can be facilitated with models and computer simulations. This review aims to provide an overview of recent developments of models and simulations and discuss their interconnection in a multiscale approach. A short introduction of the various aerosol reactor types and gas-phase particle dynamics is presented as a background for the later discussion of the models and simulations. Models are presented with decreasing time and length scales in sections on continuum, mesoscale, molecular dynamics and quantum mechanics models.

摘要

气溶胶反应器用于大量生产具有工业相关性的纳米颗粒。模型和计算机模拟有助于气溶胶反应器的开发、理解和放大。本综述旨在概述模型和模拟的最新进展,并以多尺度方法讨论它们的相互联系。作为后续模型和模拟讨论的背景,简要介绍了各种气溶胶反应器类型和气相颗粒动力学。在关于连续介质、介观尺度、分子动力学和量子力学模型的章节中,按照时间和长度尺度递减的顺序介绍了模型。

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本文引用的文献

1
Sintering Rate and Mechanism of TiO Nanoparticles by Molecular Dynamics.TiO纳米颗粒烧结速率及分子动力学机制
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The Structure of Agglomerates consisting of Polydisperse Particles.由多分散颗粒组成的团聚体结构
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Design of Aerosol Particle Coating: Thickness, Texture and Efficiency.气溶胶颗粒涂层的设计:厚度、质地与效率
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Design of Aerosol Coating Reactors: Precursor Injection.气溶胶涂层反应器的设计:前驱体注入
Ind Eng Chem Res. 2011 Dec 21;50(24):13831-13839. doi: 10.1021/ie201575a.
6
Design of nanomaterial synthesis by aerosol processes.气溶胶法纳米材料合成设计。
Annu Rev Chem Biomol Eng. 2012;3:103-27. doi: 10.1146/annurev-chembioeng-062011-080930. Epub 2012 Feb 23.
7
Multiparticle sintering dynamics: from fractal-like aggregates to compact structures.多颗粒烧结动力学:从类分形聚集到致密结构。
Langmuir. 2011 May 17;27(10):6358-67. doi: 10.1021/la200546g. Epub 2011 Apr 13.
8
Nanocompounds of iron and zinc: their potential in nutrition.铁和锌的纳米复合物:它们在营养中的潜力。
Nanoscale. 2011 Jun;3(6):2390-8. doi: 10.1039/c0nr00858c. Epub 2011 Apr 11.
9
Flame spray pyrolysis: An enabling technology for nanoparticles design and fabrication.火焰喷雾热解法:一种用于纳米颗粒设计和制造的使能技术。
Nanoscale. 2010 Aug;2(8):1324-47. doi: 10.1039/c0nr00017e. Epub 2010 May 17.
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Semiconductor gas sensors: dry synthesis and application.半导体气体传感器:干法合成与应用。
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