|本期目录/Table of Contents|

[1]赵倩雯,徐映红,徐定华.沉淀法制备催化剂介尺度过程CA模型与数值模拟[J].浙江理工大学学报,2019,41-42(自科二):262-268.
 ZHAO Qianwen,XU Yinghong,XU Dinghua.CA model and numerical simulation of mesoscale process for  catalyst preparation by precipitation method[J].Journal of Zhejiang Sci-Tech University,2019,41-42(自科二):262-268.
点击复制

沉淀法制备催化剂介尺度过程CA模型与数值模拟()
分享到:

浙江理工大学学报[ISSN:1673-3851/CN:33-1338/TS]

卷:
第41-42卷
期数:
2019年自科二期
页码:
262-268
栏目:
出版日期:
2019-04-23

文章信息/Info

Title:
CA model and numerical simulation of mesoscale process for  catalyst preparation by precipitation method
文章编号:
1673-3851 (2019) 03-0262-07
作者:
赵倩雯徐映红徐定华
1.浙江理工大学理学院,杭州310018; 2.上海财经大学数学学院,上海200433
Author(s):
ZHAO Qianwen XU Yinghong XU Dinghua
1. School of Sciences, Zhejiang Sci-Tech University, Hangzhou 310018, China; 2. School of Mathematics, Shanghai University of Finance and Economics, Shanghai 200433, China
关键词:
元胞自动机介尺度过程扩展DLVO理论介尺度模型元胞自动机模拟
分类号:
O242
文献标志码:
A
摘要:
研究针对沉淀法制备Fe基催化剂过程中一次粒子到二次粒子介尺度行为,建立了元胞自动机(Cellular automaton,CA)模型并进行了数值模拟。针对介尺度过程,结合扩展DLVO理论(EDLVO),将范德华作用力、静电作用力和界面极性相互作用力的影响加以量化,并加入到元胞自动机的转移规则中,从而建立了沉淀法制备Fe基催化剂过程中纳米粒子聚集行为的元胞自动机模型。利用Java编程进行模拟,模拟结果与实验结果相近,表明CA模型有效。该研究可为催化剂制备中催化剂的结构(比表面积、孔结构)和表面晶体结构等性质研究提供理论指导。

参考文献/References:

[1] 黄仲涛, 耿建铭. 工业催化[M]. 2版. 北京:化学工业出版社, 2006: 4-18.
[2] Cahn J W. The time cone method for nucleation and growth kinetics on a finite domain [J]. Material Research Society Symposium Proceeding, 1996, 398: 425-437.
[3] Li G, Li L, BoerioGoates J, et al. High purity anatase TiO(2) nanocrystals: Near roomtemperature synthesis, grain growth kinetics, and surface hydration chemistry[J]. Journal of the American Chemical Society, 2005, 127(24):8659-8666.
[4] Sung M H, Choi I S, Kim J S, et al. Agglomeration of yttrium oxalate particles produced by reaction precipitation in semibatch reactor[J]. Chemical Engineering Science, 2000, 55(12):2173-2184.
[5] Melis S, Verduyn M, Storti G, et al. Effect of fluid motion on the aggregation of small particles subject to interaction forces[J]. Aiche Journal, 1999, 45(7):1383-1393.
[6] Tang Y, Liu Y, SampathkumaranU, et al. Particle growth and particlesurface interactions during lowtemperature deposition of ceramic thin films[J]. Solid State Ionics, 2002, 151(14):69-78.
[7] Xu Z, Yoon R H. A study of hydrophobic coagulation[J]. Journal of Colloid and Interface Science, 1990, 134(2):427-434.
[8] Cai Y, Liu M, Hui L. Observations and mechanism of CaSO4 fouling on hydrophobic surfaces[J]. Industrial and Engineering Chemistry Research, 2014, 53(9):3509-3527.
[9] Schoeman B J. Analysis of the nucleation and growth of TPAsilicalite1 at elevated temperatures with the emphasis on colloidal stability[J]. Microporous and Mesoporous Materials, 2016, 22(1):9-22.
[10] Gardner M. Mathematical games: The fantastic combinations of John Conway′s new solitaire game “life”[J] Scientific American. 1970,223:120-123.

相似文献/References:

[1]李飞翔,徐定华.稀浓度下铁系催化剂制备过程介尺度建模与计算[J].浙江理工大学学报,2018,39-40(自科6):776.
 LI Feixiang,XU Dinghua.Mesoscale modeling and computation for ironbased catalyst preparation process in dilute concentration[J].Journal of Zhejiang Sci-Tech University,2018,39-40(自科二):776.

备注/Memo

备注/Memo:
收稿日期:2018-07-25
网络出版日期: 2018-12-01
基金项目:国家自然科学基金重大研究计划项目(91534113)
作者简介:赵倩雯(1993-),女,山东德州人,硕士研究生,主要从事反问题理论及应用方面的研究
通信作者:徐映红,E-mail:xyh7913@163.com
更新日期/Last Update: 2019-03-19