电喷雾离子源(ESI)中带电液滴的形成与碎裂模拟

doi:10.7503/cjcu20150812

高等学校化学学报 ›› 2016, Vol. 37 ›› Issue (4): 633.doi: 10.7503/cjcu20150812

电喷雾离子源(ESI)中带电液滴的形成与碎裂模拟

黄兆亮¹, 高方园², 王伯良¹(), 张维冰²()

1. 南京理工大学化工学院, 南京 210094
2. 上海市功能性材料化学重点实验室, 华东理工大学化学与分子工程学院化学系, 上海 200237

收稿日期:2015-10-22 出版日期:2016-04-10 发布日期:2016-03-04
基金资助:
国家自然科学基金(批准号: 21235005)和国家重大仪器设备开发专项(批准号: 2012YQ120044)资助

Simulation of the Formation and Fission of Charged Droplets in Electrospray Ion Source^†

HUANG Zhaoliang¹, GAO Fangyuan², WANG Boliang^1,^*(), ZHANG Weibing^2,^*()

1. School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China
2. Department of Chemistry, School of Chemistry and Molecular Engineering, Shanghai Key Laboratory of Functional Materials Chemistry, East China University of Science and Technology, Shanghai 200237, China

Received:2015-10-22 Online:2016-04-10 Published:2016-03-04
Contact: WANG Boliang,ZHANG Weibing E-mail:boliangwang@163.com;weibingzhang@ecust.edu.cn
Supported by:
† Supported by the National Natural Science Foundation of China(No.21235005) and the Development of Major National Special Equipment Funding of China(No.2012YQ120044)

摘要/Abstract

摘要：

基于电喷雾离子源(ESI)中液流的输运行为, 构建了相应的物理模型, 并利用Fluent软件对电喷雾离子源中带电液滴的形成与裂变过程进行模拟研究. 分别考察了毛细管电压、离子源温度和溶液表面张力3个参数对源内液滴粒径分布的影响. 模拟结果表明, 较大的毛细管电压、较高的离子源温度和较低的表面张力条件下得到的液滴粒径较小, 液滴碎裂效果较好. 模拟结果与文献报道及经验公式结果一致.

关键词: Fluent模拟, 电喷雾离子源(ESI), 带电液滴, 粒径分布

Abstract:

The Fluent software was used to simulate the formation and fission of charged droplets in electro-spray ion source based on the transport behavior of liquid in electrospray ion source(ESI) and constructed. The influence of the capillary voltage, ion source temperature and surface tension on droplet size distribution was studied. The results indicate that high capillary voltage, high source temperature, and low surface tension lead to smaller charged droplets and better breakup, which is in consistency with the study in published literatures and the calculation with empirical formula in this work.

Key words: Fluent simulation, Electrospray, Charged droplet, Particle size distribution

中图分类号:

O657

TrendMD:

黄兆亮, 高方园, 王伯良, 张维冰. 电喷雾离子源(ESI)中带电液滴的形成与碎裂模拟. 高等学校化学学报, 2016, 37(4): 633.

HUANG Zhaoliang, GAO Fangyuan, WANG Boliang, ZHANG Weibing. Simulation of the Formation and Fission of Charged Droplets in Electrospray Ion Source^†. Chem. J. Chinese Universities, 2016, 37(4): 633.

图/表 5

Fig.1 Structural model of the electrospray ion source

Fig.2 Simulation of Taylor-cone and jet of ethanol at 2000 V

Table 1 Size distribution of charged droplets at diffe-rent capillary voltages(t=120 μs)

Diameter/m	Size distribution(%)
Diameter/m	2000 V	3000 V	5000 V
>1.0×10^-7	14	2	0
7.5×10^-8—1.0×10^-7	8	0	0
5.0×10^-8—7.5×10^-8	25	0	0
2.5×10^-8—5.0×10^-8	27	11	3
<2.5×10^-8	16	99	132

Fig.3 Effect of source temperature on droplets size distribution at 5000(A) and 2000 V(B)(t=120 μs)

Fig.4 Size distribution of charged droplets with surface tension of 50 mN/m and 10 mN/m(t=120 μs)

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电喷雾离子源(ESI)中带电液滴的形成与碎裂模拟

Simulation of the Formation and Fission of Charged Droplets in Electrospray Ion Source^†

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电喷雾离子源(ESI)中带电液滴的形成与碎裂模拟

Simulation of the Formation and Fission of Charged Droplets in Electrospray Ion Source†

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Simulation of the Formation and Fission of Charged Droplets in Electrospray Ion Source^†