Adsorption Mechanism of Octadecylamine on Inner Surface of Condenser Main Pipe Carbon Steel of Pressurized Water Reactor

LIU Canshuai; LIN Genxian; SUN Yun; FANG Jun; SONG Lijun; LIU Bin

doi:10.7538/yzk.2021.youxian.0668

Atomic Energy Science and Technology > 2022 > 56(9): 1932-1943. > DOI: 10.7538/yzk.2021.youxian.0668

LIU Canshuai, LIN Genxian, SUN Yun, FANG Jun, SONG Lijun, LIU Bin. Adsorption Mechanism of Octadecylamine on Inner Surface of Condenser Main Pipe Carbon Steel of Pressurized Water Reactor[J]. Atomic Energy Science and Technology, 2022, 56(9): 1932-1943. DOI: 10.7538/yzk.2021.youxian.0668

Citation:

PDF (8521 KB)

Adsorption Mechanism of Octadecylamine on Inner Surface of Condenser Main Pipe Carbon Steel of Pressurized Water Reactor

Suzhou Nuclear Power Research Institute, Suzhou 215004, China

More Information

Graphical Abstract

Abstract

Abstract

Carbon steel pipe is widely used in condenser of PWR nuclear power unit. Its corrosion during outage can give rise to prolonged downtime. Furthermore, the corrosion products migration to steam generator accumulates sludge formation. It can not only cause water chemistry environmental degradation, reduce heat pipe heat transfer efficiency, but also increase the corrosion risk of steam generator. In order to study the adsorption mechanism of octadecylamine (ODA) on carbon steel surface of inner wall of main tube of PWR condenser, molecular dynamics simulation software was used to simulate the adsorption process of ODA on carbon steel surface. From the perspective of thermodynamics, calculating the adsorption free energy of filmforming amine molecules on carbon steel surface by thermodynamic data and determining the type of force field constituting the adsorption free energy are effective methods to study the adsorption of organic molecules. In the first step, the adsorption model of ODA on metal interface was established by using amorphous cell module. According to the strongest X-ray diffraction peak, the Fe (110) plane of preferred orientation of metal Fe was selected to construct the interface adsorption model. In the second step, sorption module was used to calculate the layout, and ODA and H2O adsorption simulation was realized. The COMPASS Ⅱ force field, atom based summation method and NVT ensemble were used to filling 20 ODA molecules and 100 H2O molecules into the super cell vacuum layer ranging from 5% to 90%. The distribution model of ODA and H2O molecules in the super cell structure was preliminarily obtained. In the third step, the Forcite module was used to calculate the stable adsorption configuration, and the Gibbs free energy before and after the adsorption was calculated to obtain the adsorption free energy. In the fourth step, the adsorption procedures according to the above steps were repeated layer by layer until the fifth layer, and the adsorption free energy was also calculated layer by layer. The main conclusions are listed as follows. The absolute value of adsorption energy gradually decreases with the increase of ODA adsorption layers indicating that the trend of ODA spontaneous adsorption gradually weakened. The adsorption energy of the first layer is mainly generated by van der Waals force accounting for more than 98%. The second layer is mainly generated by electrostatic force accounting for more than 62%, and the rest is generated by van der Waals force and other nonbonding forces. The the third layer is mainly generated by electrostatic force and other nonbonding forces accounting for more than 88%, and the rest is generated by van der Waals force. The fourth layer is mainly generated by electrostatic force accounting for more than 80%, and the rest is generated by van der Waals force and other nonbonding forces. The fifth layer is mainly generated by electrostatic force accounting for more than 69%, and the rest is generated by van der Waals force and other nonbonding forces. It can be seen that ODA physical adsorption takes place on carbon steel surface at 40 ℃, and the adsorption energy is generated by van der Waals force, electrostatic force and other nonbonding forces. Van der Waals force is the main force in the first layer, and electrostatic force is the main force in the other layers. According to the research results of this project, the physical adsorption mechanism is proposed. ODA takes place multilayer physical adsorption on the surface of carbon steel, and the number of adsorption layers increases with the increase of ODA concentration. The adsorption energy of the first layer of ODA molecule is mainly provided by van der Waals force, and that of the other layers of ODA molecule is mainly provided by electrostatic force. The spontaneous adsorption tendency of ODA decreases gradually with the increase of the adsorption layer.
- octadecylamine,
- carbon steel,
- adsorption,
- free energy

FullText(HTML)

References (28)

References

[1]	苏林森. 900 MW压水堆核电站系统与设备（上册）[M]. 北京:原子能出版社,2005.
[2]	苏林森. 900 MW压水堆核电站系统与设备（下册）[M]. 北京:原子能出版社,2005.
[3]	寇全喜. 压水堆核电站系统与设备（上册）[M]. 宁德:福建宁德核电有限公司,2015.
[4]	寇全喜. 压水堆核电站系统与设备（下册）[M]. 宁德:福建宁德核电有限公司,2015:291-296.
[5]	CHOI S, FRUZZETTI K, CARAVAGGIO M, et al. Pressurized water reactor secondary side filming amine application: Scoping assessment, TR3002008187[R]. California: Electric Power Research Institute, 2016.
[6]	NBT-25032—2014核电厂二回路系统压力容器停用保养导则[S]. 北京:中国电力出版社,2014.
[7]	贾京京,张志柳. 核电机组调试期间设备和系统的维护保养[J]. 设备管理与维修,2017(3):42-44. JIA Jingjing, ZHANG Zhiliu. Maintenance of equipment and system during commissioning of muclear power unit[J]. Equipment Management and Maintenance, 2017(3): 42-44(in Chinese).
[8]	袁选民,高建成,冯荣彬. 缓停建基建电厂热力系统停备用保养探讨[J]. 清洗世界,2017,33(5):22-43. YUAN Xuanmin, GAO Jiancheng, FENG Rongbin. Discussion on standby maintenance of thermal system of suspended construction power plant[J]. Cleaning World, 2017, 33(5): 22-43(in Chinese).
[9]	张玉福. 热力设备停(备)用期间成膜胺防腐的应用技术[J]. 中国电力,2001,34(6):28-31. ZHANG Yufu. Anticorrosion technology for shutdown thermal power equipment by using filming amines[J]. Electric Power, 2001, 34(6): 28-31(in Chinese).
[10]	BETOVA I, BOJINOV M, SAARIO T.Filmforming amines in steam/water cycles-structure, properties, and influence on corrosion and deposition processes, VTT-R-03234-14[R]. Finland: VTT, 2014.
[11]	KHODYREV B, KRICHEVTSOV A, SOKOLYUK A. Studying the processes relating to oxidation of organic substances contained in the coolant of thermal and nuclear power stations[J]. Thermal Engineering, 2010, 57(7): 553-559.
[12]	LIAO Q, ZHOU G, GE H, et al. Characterisation of surface film on iron samples treated with octadecylamine[J]. Corrosion Engineering Science and Technology, 2007, 42(2): 102-105.
[13]	BAUX J, CAUSSE N, ESVAN J, et al. Impedance analysis of film-forming amines for the corrosion protection of a carbon steel[J]. Electrochimica Acta, 2018, 283: 699-734.
[14]	OCHOA N, BARIL G, MORAN F, et al. Study of the properties of a multi-component inhibitor used for water treatment in cooling circuits[J]. Journal of Applied Electrochemistry, 2002, 32: 497-504.
[15]	OCHOA N, MORAN F, PEBERE N. The synergistic effect between phosphonocarboxylic acid salts and fatty amines for the corrosion protection of a carbon steel[J]. Journal of Applied Electrochemistry, 2004, 34: 487-493.
[16]	OCHOA N, MORAN F, PEBERE N. Influence of flow on the corrosion inhibition of carbon steel by fatty amines in association with phosphonocarboxylic acid salts[J]. Corrosion Science, 2005, 47: 593-604.
[17]	刘洁,刘峥,刘进,等. 3,5-二溴水杨醛-2-噻吩甲酰肼席夫碱缓蚀剂在油田水中对碳钢的缓蚀性能及分子动力学模拟[J]. 中国腐蚀与防护学报,2014,34(2):101-111. LIU Jie, LIU Zheng, LIU Jin, et al. Inhibition performance of a new 3,5-dibromosalicylaldehyde-2-thenoyl hydrazine schiff base for carbon steel in oilfield water and relevant molecular dynamics simulation[J]. Journal of Chinese Society for Corrosion and Protection, 2014, 34(2): 101-111(in Chinese).
[18]	ZARROUK A, ZARROK H, SALGHI R, et al. Evaluation of N-containing organic compound as corrosion inhibitor for carbon steel in phosphoric acid[J]. Journal of Materials and Environmental Science, 2013, 4(2): 177-192.
[19]	KHALED K. Adsorption and inhibitive properties of a new synthesized guanidine[J]. Applied Surface Science, 2008, 255: 1811-1818.
[20]	KHALED K. Electrochemical behavior of nickel in nitric acid and its corrosion inhibition using some thiosemicarbazone derivatives[J]. Electrochimica Acta, 2010, 55: 5375-5383.
[21]	MADHANKUMAR A, NAGARAJAN S, RAJENDRAN N, et al. Effect of Si nanoparticles on the corrosion protection performance of organic coating on carbon steel in chloride environment[J]. Metals and Materials International, 2012, 18(6): 965-973.
[22]	OSNIS A, SUKENIK C, MAJOR D. Structure of carboxyl-acid-terminated self-assembled monolayers from molecular dynamics simulations and hybrid quantum mechanics molecular mechanics vibrational normal mode analysis[J]. The Journal of Physical Chemistry, 2012, 116: 770-782.
[23]	TANG Y, YANG X, YANG W, et al. Experimental and molecular dynamics studies on corrosion inhibition of mild steel by 2-amino-5-phenyl-1,3,4-thiadiazole[J]. Corrosion Science, 2010, 52: 242-249.
[24]	XIA S, QIU M, YU L, et al. Molecular dynamics and density functional theory study on relationship between structure of imidazoline derivatives and inhibition performance[J]. Corrosion Science, 2008, 50: 2021-2029.
[25]	ZENG J, ZHANG J, GONG X. Molecular dynamics simulation of interaction between benzotriazoles and cuprous oxide crystal[J]. Computational and Theoretical Chemistry, 2011, 963: 110-114.
[26]	张茜,陈振宇,郭兴蓬. 十二胺在碳钢表面的吸附行为[J]. 中国腐蚀与防护学报,2007,27(5):288-291. ZHANG Qian, CHEN Zhenyu, GUO Xingpeng. Investigation of the adsorption behaviour of dodecylamine on carbon steel[J]. Journal of Chinese Society for Corrosion and Protection, 2007, 27(5): 288-291(in Chinese).
[27]	LIU Canshuai, LIN Genxian, SUN Yun, et al. Effect of octadecylamine concentration on adsorption on carbon steel surface[J]. Nuclear Engineering and Technology, 2020, 52: 2394-2401.
[28]	刘灿帅,林根仙,孙云. 压水堆二回路凝汽器母管内壁的成膜胺保养工艺研究[J]. 核科学与工程,2020,41(4):695-703. LIU Canshuai, LIN Genxian, SUN Yun, et al. The maintenance technology of film-forming amine on the inner wall of condenser drain pipe of pressurized water reactor secondary circuit[J]. Nuclear Science and Engineering, 2021, 41(4): 695-703(in Chinese).

Cited By

Get Citation

PDF

XML

Article views (75) PDF downloads (153)

Turn off MathJax

Article Contents

Abstract

References

Adsorption Mechanism of Octadecylamine on Inner Surface of Condenser Main Pipe Carbon Steel of Pressurized Water Reactor

Abstract

References

Catalog

Export File

Citation

Format

Content