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Hydrophobic force, a key driving force in colloid physicochemical system and biological macromolecular system, exhibits a distinct multi-scale effect. The prevailing scholarly consensus attributes long-range hydrophobic force to bubble bridging, facilitated by unstable liquid film cavitation, while short-range force is thought to arise from the reorganization of water molecules at the solid-liquid interface. However, a comprehensive theoretical study remains elusive. To further elucidate the mechanism of the long-range hydrophobic force based on unstable liquid film cavitation, we carry out systematic research on the long-range hydrophobic force between perfluorooctyl trichlorosilane hydrophobic particles and the surface, by utilizing atomic force microscopy (AFM) and molecular dynamics simulations. According to AFM force tests, the long-range hydrophobic force escalates incrementally with subsequent close contacts before reaching a plateau. On the tenth contact, the penetration curve exhibits a sudden jump to an adhesion distance of 502.01 nm. A distinct step in the retraction curve suggests the rupture of the cavitation bubble capillary bridge. Importantly, the classical capillary force mathematical model provides an effective fit for the penetration curve. Our calculations estimate the volume of the capillary bridge at 0.30 μm³, offering direct theoretical evidence of the unstable liquid film cavitation bubble capillary bridge. Further insights are gained from large-scale tensile molecular dynamics simulations by using GROningen MAchine for Chemical Simulations (GROMACS). The inherent correlation mechanism of the formation, evolution, and mechanical behavior of the cavitation bubble capillary bridge in the separation process of hydrophobic particles are further explored from a molecular perspective. The results demonstrate that the local pressure drop occurring at the moment of “jump-out” separation of the hydrophobic particles attracts nitrogen molecules to diffuse into the liquid film, thereby forming a cavitation bubble capillary bridge. Simultaneously, a jumping behavior is observed in the calculated spring potential curve at the moment of capillary bridge rupture. Finally, the influence of solution gas content on long-range hydrophobic force is investigated. There is a positive correlation between gas molecule content and both the growth rate of cavitation bubble capillary bridge volume and the length of capillary bridge stretch-rupture, further demonstrating the gas concentration dependence of long-range hydrophobic forces. In a word, revealing the long-range hydrophobic force mechanism based on the cavitation of unstable liquid film can enhance our understanding of the interaction between colloid physical chemistry and biological macromolecules. Meanwhile, hydrophobic force is the fundamental driving force of particle-bubble adhesion in mineral flotation system, and the revelation of its action mechanism has important guiding significance for regulating the actual mineral flotation process.
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Keywords:
- long-range hydrophobic force /
- atomic force microscope /
- cavitation /
- capillary force /
- molecular dynamics simulation
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Google Scholar
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图 1 玻璃载玻片表面形貌图
Figure 1. Surface topography of glass.
图 2 玻璃微球的SEM照片
Figure 2. SEM photos of glass microspheres.
图 3 (a)胶体探针及(b)玻璃载玻片疏水化后表面接触角图像
Figure 3. (a) Colloidal probes and (b) surface contact angle images of glass slides after hydrophobicization.
图 4 疏水力测量实验示意图
Figure 4. Schematic diagram of hydrophobic measurement test
图 5 空化现象分子动力学模拟初始构型
Figure 5. Initial configuration of cavitation phenomenon in molecular dynamics simulation.
图 6 水溶液下疏水化基板表面AFM扫描结果 (a)表面形貌; (b)表面粗糙度扫描曲线
Figure 6. AFM scanning results of hydrophobic substrate surface in aqueous solution: (a) Surface topography; (b) surface roughness scanning curve.
图 7 空气下疏水化基板表面AFM扫描结果 (a)表面形貌; (b)表面粗糙度扫描曲线
Figure 7. AFM scanning results of hydrophobic substrate surface under air: (a) Surface topography; (b) surface roughness scanning curve
图 8 不同接近次数下的疏水颗粒与基板间相互作用力(进针曲线) (a)位置1; (b)位置2; (c)位置3; (d)位置4
Figure 8. Interaction between hydrophobic particles and substrate under different approaching times (approach curves): (a) Position 1; (b) position 2; (c) position 3; (d) position 4.
图 9 不同接近次数下的疏水颗粒与基板间相互作用力(退针曲线) (a)位置1; (b)位置2; (c)位置3; (d)位置4
Figure 9. Interaction between hydrophobic particles and substrate under different approaching times (retraction curves): (a) Position 1; (b) position 2; (c) position 3; (d) position 4.
图 10 部分脱气处理条件下, 不同接近次数时疏水颗粒与基板间的相互作用力
Figure 10. Interaction force between hydrophobic particles and substrate at different approaching times under the condition of partial degassing treatment.
图 11 不同接近次数下进针跳入黏附距离变化
Figure 11. Variation of adhesive distance upon penetration at different approaching cycles.
图 13 空化气泡的毛细力模型拟合结果
Figure 13. Fitting results of the capillary force model for cavitation bubbles.
图 14 分离距离随模拟时间的变化曲线
Figure 14. Curve of separation distance as a function of simulation time.
图 15 不同气体含量对分离过程拉力的影响
Figure 15. Impact of different gas contents on the tensile force during the separation process.
图 16 分离过程空化气泡毛细桥体积随分离距离的变化
Figure 16. Volume variation of cavitation capillary bridges during the separation process as a function of separation distance.
图 17 空化气泡毛细桥断裂前后分子动力学模拟结果 (a) 无气体分子; (b) 100气体分子; (c) 200气体分子
Figure 17. Molecular dynamics simulation results before and after cavitation capillary bridge rupture: (a) No gas molecules; (b) 100 gas molecules; (c) 200 gas molecules.
图 18 基于亚稳态液膜空化的长程疏水力作用机制
Figure 18. Long-range hydrophobic mechanism based on metastable liquid film cavitation.
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[1] 马红孺 2016 物理学报 65 184701
Google Scholar
Ma H R 2016 Acta Phys. Sin. 65 184701
Google Scholar
[2] Nikolov A, Lee J, Wasan D 2023 Adv. Colloid Interface Sci. 313 102847
Google Scholar
[3] 彭家略, 郭浩, 尤天涯, 纪献兵, 徐进良 2021 物理学报 70 044701
Google Scholar
Peng J L, Guo H, You T Y, Ji X B, Xu J L 2021 Acta Phys. Sin. 70 044701
Google Scholar
[4] 赵昶, 纪献兵, 杨聿昊, 孟宇航, 徐进良, 彭家略 2022 物理学报 71 214701
Google Scholar
Zhao C, Ji X B, Yang Y H, Meng Y H, Xu J L, Peng J L 2022 Acta Phys. Sin. 71 214701
Google Scholar
[5] Li Q, Liao C, Hou J, Wang W, Zhang J 2022 Fuel 316 123271
Google Scholar
[6] 顾帼华, 锁军, 柳建设, 钟素姣 2006 中国有色金属学报 16 1462
Google Scholar
Gu G H, Suo J, Liu J S, Zhong S J 2006 Chin. J. of Nonferrous Met. 16 1462
Google Scholar
[7] 张天辉, 曹镜声, 梁颖, 刘向阳 2016 物理学报 65 176401
Google Scholar
Zhang T H, Cao J S, Liang Y, Liu X Y 2016 Acta Phys. Sin. 65 176401
Google Scholar
[8] 邢耀文, 桂夏辉, 曹亦俊, 刘炯天 2019 煤炭学报 44 3185
Google Scholar
Xing Y W, Gui X H, Cao Y J, Liu J T 2019 J. China Coal Soc. 44 3185
Google Scholar
[9] 蒋昊, 罗汇丰, 谢佳辉, 韩文平 2022 中国有色金属学报 32 545
Google Scholar
Jiang H, Liu H F, Xie J H, Han W P 2022 Chin. J. of Nonferrous Met. 32 545
Google Scholar
[10] Christenson H K, Claesson P M 2001 Adv. Colloid Interface Sci. 91 391
Google Scholar
[11] Meyer E E, Rosenberg K J, Israelachvili J 2006 Proc. Natl. Acad. Sci. U. S. A. 103 15739
Google Scholar
[12] Kékicheff P 2019 Adv. Colloid Interface Sci. 270 191
Google Scholar
[13] 王市委, 陈松降, 陶秀祥, 石开仪, 陈鹏, 陈文辉 2019 煤炭学报 44 2236
Google Scholar
Wang S W, Chen S J, Tao X X, Shi K Y, Chen P, Chen W H 2019 J. China Coal Soc. 44 2236
Google Scholar
[14] Christensen H, Claesson P 1988 Science 239 390
Google Scholar
[15] Yakubov G E, Butt H J, Vinogradova O I 2000 J. Phys. Chem. B 104 3407
Google Scholar
[16] Azadi M, Nguyen A V, Yakubov G E 2015 Langmuir 31 1941
Google Scholar
[17] Faghihnejad A, Zeng H 2012 Soft Matter 8 2746
Google Scholar
[18] Abraham M J, Murtola T, Schulz R, Páll S, Smith J C, Hess B, Lindahl E 2015 SoftwareX 1 19
Google Scholar
[19] Humphrey W, Dalke A, Schulten K 1996 J. Mol. Graph. 14 33
Google Scholar
[20] Yang H, Zhang F, Xing Y, Gui X, Cao Y 2022 Front. Mater. 8 644
Google Scholar
[21] Pandit S, Maroli N, Naskar S, Khatri B, Maiti P K, De M 2022 Nanoscale 14 7881
Google Scholar
[22] Wang X, Ramírez-Hinestrosa S, Dobnikar J, Frenkel D 2020 Phys. Chem. Chem. Phys. 22 10624
Google Scholar
[23] Vassetti D, Pagliai M, Procacci P 2019 J. Chem. Theory Comput. 15 1983
Google Scholar
[24] Potoff J J, Ilja Siepmann J 2001 AIChE J. 47 1676
Google Scholar
[25] Sedighi M, Talaie M R, Sabzyan H, Aghamiri S, Chen P 2022 Fuel 308 121965
Google Scholar
[26] Xia Y C, Zhang R, Cao Y J, Xing Y W, Gui X H 2020 Fuel 262 116535
Google Scholar
[27] Zimmermann K 1991 J. Comput. Chem. 12 310
Google Scholar
[28] Bussi G, Donadio D, Parrinello M 2007 J. Chem. Phys. 126 14101
Google Scholar
[29] Essmann U, Perera L, Berkowitz M L, Darden T, Lee H, Pedersen L G 1995 J. Chem. Phys. 103 8577
Google Scholar
[30] Hammer M U, Anderson T H, Chaimovich A, Shell M S, Israelachvili J 2010 Faraday Discuss. 146 299
Google Scholar
[31] Mezger M, Reichert H, Schöder S, Okasinski J, Schröder H, Dosch H, Palms D, Ralston J, Honkimäki V 2006 Proc. Natl. Acad. Sci. U. S. A. 103 18401
Google Scholar
[32] Butt H J, Kappl M 2009 Adv. Colloid Interface Sci. 146 48
Google Scholar
[33] Brown D, Neyertz S 1995 Molecular Physics 84 577
Google Scholar
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