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超疏水表面因其优异的自洁作用一直是表面科学领域关注的重点.本文使用多体耗散粒子动力学(many-body dissipative particle dynamics, MDPD)方法模拟研究了不同粗糙结构下液滴的浸润特性, 并与Cassie-Baxter理论进行了对比. 研究使用了一种具有长吸短斥作用的流固作用函数来获得不同的液滴浸润性, 并利用一种简洁的数值方法来测量接触角. 模拟结果表明本研究方法能够稳定地捕捉到液滴在粗糙表面的静态和动态特性. 模拟了粗糙结构对三相接触线运动的黏滞作用, 与物理实验结果相符合, 表明Cassie-Baxter理论在实际应用中尚存在一定局限性. 研究分析了在动态铺展过程中的能量转化关系, 并指出在低值表面容易引起液滴反弹.Because of their ability of self-clean, superhydrophobic surfaces have received substantial attention for years especially in surface science field. In this paper, the drop's wettability on different rough surfaces is simulated by using many-body dissipative particle dynamics (MDPD) and a contrast with the Cassie-Baxter theory's predictions is made. A combination of short-range repulsive and long-range attractive forces is used as wall-fluid interaction to generate different wettability, and a simple but efficient numerical method is introduced to measure the contact angle. The simulation could capture the static and dynamic properties of drop on textured surfaces, it is also shown that the microstructured surfaces can pin the three-phase (solid-liquid-vapour) contact line and this phenomenon has also been observed by other researchers in their physical experiments, suggesting that people should be careful when using the Cassie-Baxter theory. An analysis was given about energy transformation between kinetic energy and surface energy. The simulated results also show that the low Φs can cause the drop to rebound easily under the same impact velocity.
[1] Youngblood J P, McCarthy T J 1999 Macromolecules 32 6800
[2] Shirtcliffe N J, McHale G, Atherton S, Newton M I 2010 Advances in colloid and interface science 161 124
[3] Mishchenko L, Hatton B, Bahadur V, Taylor J A, Krupenkin T, Aizenberg J 2010 ACS. Nano 4 7699
[4] Gao X, Jiang L 2004 Nature 432 36
[5] Feng X Q, Gao X, Wu Z, Jiang L, Zheng Q S 2007 Langmuir 23 4892
[6] Gao X, Yan X, Yao X, Xu L, Zhang K, Zhang J, Jiang L 2007 Advanced Materials 19 2213
[7] Boreyko J B, Baker C H, Poley C R, Chen C H 2011 Langmuir 27 7502
[8] Yao Y, Zhou Z W, Hu G H 2013 Acta. Phys. Sin. 62 134701 (in Chinese) [姚祎, 周哲玮, 胡国辉 2013 物理学报 62 134701]
[9] Liu M B, Liu G R, Zhou L V, Chang J Z 2014 Arch. Computat. Methods Eng. DOI:10.1007/s11831-014-9124-x
[10] Singh E, Thomas A V, Mukherjee R, Mi X, Houshmand F, Peles Y, Koratkar N 2013 ACS Nano 7 3512
[11] Weng B H, Liu H Y, Zhang C Y, Wang Q 2009 Chin. Phys. B 18 4353
[12] Yin H H, Yang X F, Wang C F, Li H B 2009 Chin. Phys. B 18 2878
[13] Wenzel R N 1936 Industrial & Engineering Chemistry 28 988
[14] Cassie A B D, Baxter S 1944 Transactions of the Faraday Society 40 546
[15] Warren P B 2003 Phys. Rev. E 68 066702
[16] Trofimov S Y, Nies E L F, Michels M A J 2005 The Journal of Chemical Physics 123 144102
[17] Hoogerbrugge P J, Koelman J M V A 1992 Europhys. Lett. 19 155
[18] Groot R D, Warren P B 1997 The Journal of Chemical Physics 107 4423
[19] Liu M B, Meakin P, Huang H 2006 Phys. Fluids 18 017101
[20] Ma L Q, Chang J Z, Liu H T, Liu M B 2012 Acta. Phys. Sin. 61 054701 (in Chinese) [马理强, 常建忠, 刘汉涛, 刘谋斌 2012 物理学报 61 054701]
[21] Zhang M K, Chen S, Shang Z 2012 Acta. Phys. Sin. 61 034701 (in Chinese) [张明焜, 陈硕, 尚智 2012 物理学报 61 034701]
[22] Revenga M, Zuniga I, Espanol P, Pagonabarraga I 1998 International Journal of Modern Physics C 9 1319
[23] Arienti M, Pan W X, Li X, Karniadakis G 2011 The Journal of chemical physics 134 204114
[24] He B, Patankar N A, Lee J 2003 Langmuir 19 4999
[25] Gao L, McCarthy T J 2007 Langmuir 23 3762
[26] Eggers J, Fontelos M A, Josserand C, Zaleski S 2010 Physics of Fluids 22 062101
[27] Deng X, Schellenberger F, Papadopoulos P, Vollmer D, Butt H J 2013 Langmuir 29 7847
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[1] Youngblood J P, McCarthy T J 1999 Macromolecules 32 6800
[2] Shirtcliffe N J, McHale G, Atherton S, Newton M I 2010 Advances in colloid and interface science 161 124
[3] Mishchenko L, Hatton B, Bahadur V, Taylor J A, Krupenkin T, Aizenberg J 2010 ACS. Nano 4 7699
[4] Gao X, Jiang L 2004 Nature 432 36
[5] Feng X Q, Gao X, Wu Z, Jiang L, Zheng Q S 2007 Langmuir 23 4892
[6] Gao X, Yan X, Yao X, Xu L, Zhang K, Zhang J, Jiang L 2007 Advanced Materials 19 2213
[7] Boreyko J B, Baker C H, Poley C R, Chen C H 2011 Langmuir 27 7502
[8] Yao Y, Zhou Z W, Hu G H 2013 Acta. Phys. Sin. 62 134701 (in Chinese) [姚祎, 周哲玮, 胡国辉 2013 物理学报 62 134701]
[9] Liu M B, Liu G R, Zhou L V, Chang J Z 2014 Arch. Computat. Methods Eng. DOI:10.1007/s11831-014-9124-x
[10] Singh E, Thomas A V, Mukherjee R, Mi X, Houshmand F, Peles Y, Koratkar N 2013 ACS Nano 7 3512
[11] Weng B H, Liu H Y, Zhang C Y, Wang Q 2009 Chin. Phys. B 18 4353
[12] Yin H H, Yang X F, Wang C F, Li H B 2009 Chin. Phys. B 18 2878
[13] Wenzel R N 1936 Industrial & Engineering Chemistry 28 988
[14] Cassie A B D, Baxter S 1944 Transactions of the Faraday Society 40 546
[15] Warren P B 2003 Phys. Rev. E 68 066702
[16] Trofimov S Y, Nies E L F, Michels M A J 2005 The Journal of Chemical Physics 123 144102
[17] Hoogerbrugge P J, Koelman J M V A 1992 Europhys. Lett. 19 155
[18] Groot R D, Warren P B 1997 The Journal of Chemical Physics 107 4423
[19] Liu M B, Meakin P, Huang H 2006 Phys. Fluids 18 017101
[20] Ma L Q, Chang J Z, Liu H T, Liu M B 2012 Acta. Phys. Sin. 61 054701 (in Chinese) [马理强, 常建忠, 刘汉涛, 刘谋斌 2012 物理学报 61 054701]
[21] Zhang M K, Chen S, Shang Z 2012 Acta. Phys. Sin. 61 034701 (in Chinese) [张明焜, 陈硕, 尚智 2012 物理学报 61 034701]
[22] Revenga M, Zuniga I, Espanol P, Pagonabarraga I 1998 International Journal of Modern Physics C 9 1319
[23] Arienti M, Pan W X, Li X, Karniadakis G 2011 The Journal of chemical physics 134 204114
[24] He B, Patankar N A, Lee J 2003 Langmuir 19 4999
[25] Gao L, McCarthy T J 2007 Langmuir 23 3762
[26] Eggers J, Fontelos M A, Josserand C, Zaleski S 2010 Physics of Fluids 22 062101
[27] Deng X, Schellenberger F, Papadopoulos P, Vollmer D, Butt H J 2013 Langmuir 29 7847
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