[1]汤松臻,韩 奎,周俊杰.垃圾焚烧炉低温腐蚀机理的分子动力学模拟[J].郑州大学学报(工学版),2023,44(04):48-53.[doi:10.13705/j.issn.1671-6833.2023.01.016]
　TANG Songzhen,HAN Kui,ZHOU Junjie.Molecular Dynamics Simulation of Low Temperature Corrosion Mechanism of Waste Incinerator[J].Journal of Zhengzhou University (Engineering Science),2023,44(04):48-53.[doi:10.13705/j.issn.1671-6833.2023.01.016]
点击复制

垃圾焚烧炉低温腐蚀机理的分子动力学模拟()
分享到：

《郑州大学学报(工学版)》[ISSN:1671-6833/CN:41-1339/T]

卷:
44
期数:
2023年04期
页码:
48-53
栏目:
出版日期:
2023-06-01

文章信息/Info

Title:
Molecular Dynamics Simulation of Low Temperature Corrosion Mechanism of Waste Incinerator
作者:
汤松臻;  韩 奎;  周俊杰
郑州大学 机械与动力工程学院,河南 郑州 450001
Author(s):
TANG Songzhen;  HAN Kui;  ZHOU Junjie
School of Mechanical and Power Engineering, Zhengzhou University, 450001, Zhengzhou, Henan
关键词:
垃圾焚烧;  低温腐蚀;  硫酸;  分子动力学;  涂层
Keywords:
waste incineration;  low temperature corrosion;  sulfuric acid;  molecular dynamics;  coating
分类号:
TQ051.5；TK223.3
DOI:
10.13705/j.issn.1671-6833.2023.01.016
文献标志码:
A
摘要:
针对垃圾焚烧系统中换热器表面低温腐蚀的问题,通过分子动力学的研究方法模拟了硫酸分子在镍 金属涂层表面的腐蚀过程,建立了腐蚀过程模型,对比了不同涂层的腐蚀速率。 研究表明,H2 SO4 分子在镍金 属涂层表面先解离出 2 个氢氧根离子,分解出的 O—H 离子与 O—S—O 离子分别被 Ni 金属表面捕获,其中仅 O—H 离子中的 O 与 Ni 原子形成键链;对比氧化铝、镍金属和镍铬合金 3 种涂层,镍铬合金对结低温腐蚀的 抑制效果最好,镍金属涂层抑制效果最差,即选用抗氧化性强的涂层材料可有效减少垃圾焚烧系统受热面表 面低温腐蚀的现象。
Abstract:
Aiming at the problem of low temperature corrosion on the surface of the heat exchanger in the waste incineration system, the corrosion process of sulfuric acid molecules on the surface of nickel alloy coatings was simulated by molecular dynamics research methods, the corrosion rates of different coatings were explored, and the corrosion process model was established. The results show that H2 SO4 dissociates two hydroxide ions on the surface of nickel metal coating, and the decomposed O—H ions and O—S—O ions are captured by the Surface of Ni metal seperatively. O in O—H ions forms bond chains with Ni atoms only. Compared with aluminum oxide, nickel alloy and nickel chromium alloy, nickel chromium alloy has the best inhibition effect on the initial slagging layer, while nickel alloy coating has the worst inhibition effect. The selection of coating materials with strong oxidation resistance can effectively reduce the phenomenon of low temperature corrosion on the surface of the heating surface of the waste incineration system.

参考文献/References:

[1] 余渡江. 垃圾衍生燃料(RDF)流化床空气气化特性的实验研究[D]. 杭州: 浙江大学, 2014.YU D J. The experimental study on refuse derived fuels (RDF) air gasification characteristics of fluidized bed[D]. Hangzhou: Zhejiang University, 2014.

[2] 袁野, 郑妍, 马凤明, 等. 循环流化床垃圾炉积灰结焦机理及控制方法[J]. 洁净煤技术, 2019, 25(6): 177-183.YUAN Y, ZHENG Y, MA F M, et al. Mechanism and control method of fouling and slagging in circulating flui-dized bed garbage incinerator[J]. Clean Coal Technology, 2019, 25(6): 177-183.
[3] 刘正宁, 刘洋, 谭厚章, 等. 余热锅炉省煤器腐蚀机理的研究[J]. 动力工程学报, 2010, 30(7): 508-511.LIU Z N, LIU Y, TAN H Z, et al. Study on corrosion mechanism of economizer of waste heat boilers[J]. Journal of Chinese Society of Power Engineering, 2010, 30(7): 508-511.
[4] 郑文龙,闵国全,陈友明,等. 耐硫酸露点腐蚀用钢: ND钢的研制[J]. 机械工程材料, 1994, 18(1): 35-37.ZHENG W L, MIN G Q, CHEN Y M, et al. ND steel for resistance to sulfur dewpoint corrosion[J]. Materials for Mechanical Engineering, 1994, 18(1): 35-37.
[5] 栗劲松, 张艺丹, 岳萌, 等. 垃圾焚烧烟气余热回收换热器的低温腐蚀及积灰传热特性实验研究[J]. 中国电机工程学报, 2021, 41(24): 8484-8494.LI J S, ZHANG Y D, YUE M, et al. Experimental study on low-temperature corrosion and fouling heat transfer characteristics of waste heat recovery heat exchanger for waste incineration[J]. Proceedings of the CSEE, 2021, 41(24): 8484-8494.
[6] MOAKHAR R S, MEHDIPOUR M, GHORBANI M, et al. Investigations of the failure in boilers economizer tubes used in power plants[J]. Journal of Materials Engineering and Performance, 2013, 22(9): 2691-2697.
[7] 宋紫薇. 金属铁在盐雾环境下腐蚀分子动力学模拟[D]. 哈尔滨: 哈尔滨工业大学, 2021.SONG Z W. Molecular dynamics simulation of metal iron corrosion in salt spray environment[D]. Harbin: Harbin Institute of Technology, 2021.
[8] 陈龙飞, 刘东, 李强. 镍在超临界H2O/CO2混合工质中腐蚀的反应力场分子动力学模拟[J]. 南京理工大学学报, 2021, 45(2): 245-250.CHEN L F, LIU D, LI Q. Reactive force field molecular dynamics study of nickel corrosion in supercritical H2O/CO2 mixtures[J]. Journal of Nanjing University of Science and Technology, 2021, 45(2): 245-250.
[9] SHIN Y K, KWAK H, VASENKOV A V, et al. Deve-lopment of a ReaxFF reactive force field for Fe/Cr/O/S and application to oxidation of butane over a pyrite-covered Cr2O3 catalyst[J]. ACS catalysis, 2015, 5(12): 7226-7236.
[10] DORMOHAMMADI H, PANG Q,  RNAD TTIR L, et al. Atomistic simulation of initial stages of iron corrosion in pure water using reactive molecular dynamics[J]. Computational Materials Science, 2018, 145: 126-133.
[11] PARRINELLO M, RAHMAN A. Polymorphic transitions in single crystals: a new molecular dynamics method[J]. Journal of Applied Physics, 1981, 52(12): 7182-7190.
[12] NOSÉ S. A molecular dynamics method for simulations in the canonical ensemble[J]. Molecular Physics, 1984, 52(2): 255-268.
[13] 卞少康. 磁控溅射制备Cr基合金涂层及其耐腐蚀性能研究[D]. 秦皇岛: 燕山大学, 2021.BIAN S K. Manufacture and corrosion resistance of Cr-based alloy coating deposited by magnetron sputtering[D]. Qinhuangdao: Yanshan University, 2021.
[14] WU J, WU X J, CHENG P Z, et al. High-temperature corrosion behaviors of typical nickel alloy coatings in a simulated boiler coal ash/gas environment in the Zhun-dong region[J]. Materials and Corrosion, 2020, 71(7): 1102-1112.
[15] 贾倩倩. Ni合金表面耐氧化腐蚀涂层制备研究进展[J]. 世界有色金属, 2018(1): 216, 218.JIA Q Q. Research progress of oxidation and corrosion resisting coating on Ni alloy[J]. World Nonferrous Me-tals, 2018(1): 216, 218.
[16] CHEN L, LUO H B, LI Z C, et al. Effect of Al doping on the early-stage oxidation of Ni-Al alloys: a ReaxFF molecular dynamics study[J]. Applied Surface Science, 2021, 563: 150097.

更新日期/Last Update: 2023-07-01