粗糙度对水汽在细颗粒表面异质核化影响的数值模拟

doi:10.11949/0438-1157.20201913

化工学报 ›› 2021, Vol. 72 ›› Issue (8): 4304-4313.DOI: 10.11949/0438-1157.20201913

粗糙度对水汽在细颗粒表面异质核化影响的数值模拟

熊桂龙^1,²(),谢静雯^1,²,杨林军³

^1.南昌大学资源环境与化工学院，江西南昌 330031
^2.南昌大学鄱阳湖环境与资源利用教育部重点实验室，江西南昌 330031
^3.东南大学能源热转换及其过程测控教育部重点实验室，江苏南京 210096

收稿日期:2020-12-25 修回日期:2021-03-29 出版日期:2021-08-05 发布日期:2021-08-05
通讯作者: 熊桂龙
作者简介:熊桂龙(1981—)，男，博士，副教授，jcijxcn@163.com
基金资助:
国家自然科学基金项目(51666011);江西省杰出青年基金项目(20171ACB21008)

Numerical simulation of effect of roughness on heterogeneous nucleation of water vapor on fine particle surface

Guilong XIONG^1,²(),Jingwen XIE^1,²,Linjun YANG³

^1.School of Resources Environmental and Chemical Engineering, Nanchang University, Nanchang 330031, Jiangxi, China
^2.Key Laboratory of Poyang Lake Environment and Resource Utilization Ministry of Education, Nanchang University, Nanchang 330031, Jiangxi, China
^3.Key Laboratory of Energy Thermal Conversion and Control of Ministry of Education, Southeast University, Nanjing 210096, Jiangsu, China

Received:2020-12-25 Revised:2021-03-29 Online:2021-08-05 Published:2021-08-05
Contact: Guilong XIONG

摘要/Abstract

摘要：

为研究水汽在细颗粒物粗糙表面上的异质核化特性，基于Fletcher经典核化理论、分子运动学理论等提出了一个考虑水汽分子表面扩散机制、线张力、粗糙度的异质核化模型，并将理论预测的临界过饱和度与已有的实验值进行对比，验证了模型的有效性。采用数值模拟的方法，研究了线粗糙度因子、表面粗糙度因子对临界成核自由能、成核速率、临界过饱和度的影响规律。研究结果表明：与表面光滑的细颗粒物相比，粗糙表面的细颗粒物与水汽间的微观接触角更小，细颗粒物的润湿性更好，更易于发生异质核化凝结；在线张力为负时，细颗粒物的表面越粗糙，其成核自由能和临界过饱和度越小，成核速率越大，有利于水汽分子在细颗粒物表面发生异质核化；表面粗糙度因子比线粗糙度因子对水汽在细颗粒物表面异质核化凝结的影响更大。

关键词: 细颗粒物, 粗糙度, 水汽, 核化, 凝结, 数值模拟

Abstract:

To research heterogeneous nucleation of water vapor condensed on the rough surface of the fine particles, a heterogeneous nucleation model was proposed, which based on Fletcher's classical nucleation theory and molecular kinematics theory, considered the effects of surface diffusion mechanism of water vapor molecules, line tension and roughness. The accuracy of the established model was verified by comparing the simulation results of critical supersaturation with the experimental results in existed literature. The effects of line roughness factor and surface roughness factor on critical nucleation free energy, nucleation rate and critical supersaturation were analyzed by numerical simulation. The results show that compared with the fine particles with smooth surface, the microscopic contact angle between the fine particles with rough surface and water vapor is smaller, the wettability of the fine particles is better, and the possibility of heterogeneous nucleation is greater. When the line tension is negative, the rougher the fine particles surface is, the smaller the nucleation free energy and critical supersaturation are, and the higher the nucleation rate is, the more favorable the heterogeneous nucleation of water vapor molecules on the surface of fine particles is. The surface roughness factor has a greater effect on the heterogeneous nucleation and condensation of water vapor on the surface of fine particles than the linear roughness factor.

Key words: fine particle, roughness, water vapor, nucleation, condensation, numerical simulation

中图分类号:

X 513

熊桂龙, 谢静雯, 杨林军. 粗糙度对水汽在细颗粒表面异质核化影响的数值模拟[J]. 化工学报, 2021, 72(8): 4304-4313.

Guilong XIONG, Jingwen XIE, Linjun YANG. Numerical simulation of effect of roughness on heterogeneous nucleation of water vapor on fine particle surface[J]. CIESC Journal, 2021, 72(8): 4304-4313.

图/表 9

图1 水汽在光滑颗粒和粗糙颗粒表面异质核化过程示意图

Fig.1 Schematic diagram of heterogeneous nucleation of water vapor on smooth and rough surface of particles

图2 水汽分子在细颗粒表面运动过程示意图

Fig. 2 Schematic diagram of water vapor molecules moving on the surface of fine particles

图3 基于不同模型的临界过饱和度随粒径的变化规律

Fig.3 The variation of critical supersaturation with particle size based on different models

图4 不同粗糙度因子下临界成核自由能随粒径的变化规律

Fig.4 The free energy of critical nucleation varies with particle size under different roughness

图5 不同粗糙度因子下成核速率随过饱和度的变化规律

Fig.5 The nucleation rate varies with supersaturation under different roughness

图6 不同粒径下成核速率随过饱和度的变化规律

Fig.6 The nucleation rate varies with supersaturation under different particle sizes

图7 不同粗糙度因子下临界过饱和度随粒径的变化规律

Fig.7 The critical supersaturation with particle size under different roughness surfaces

表1 不同燃煤电站细颗粒物的宏观接触角及余弦值

Table 1 Macroscopic contact angle and cosine values of particles in different coal-fired power stations

不同地域的燃煤电站细颗粒物样品	θ/(°)	cosθ
内蒙古	40.1	0.765
达州	39.4	0.773
淮安	38.5	0.782
南京	38.5	0.783
榆林	38.4	0.784
荆门	38.3	0.785
嘉兴	35.7	0.812

图8 38.4°时不同粗糙度因子下临界过饱和度随粒径的变化规律

Fig. 8 The critical supersaturation with particle size under different roughness at macroscopic contact angle 38.4°

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粗糙度对水汽在细颗粒表面异质核化影响的数值模拟

Numerical simulation of effect of roughness on heterogeneous nucleation of water vapor on fine particle surface

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