A Computer Simulation Study on Deposition Patterns of Cyclic Diblock Copolymer Solution Nanodroplets: Influence of Polymer Length and Concentration

doi:10.1007/s40242-024-4181-7

Abstract

Abstract: Molecular dynamics simulations are conducted to investigate the deposition patterns of cyclic diblock copolymer solution nanodroplets on solid surfaces (walls). The primary focus is how initial polymer concentration, chain length, and solvent-wall interaction affect these patterns. Deposition patterns are categorized into phase diagrams, mainly composed of multihollow, coffee-ring, and multilayer structures. We also study the deposition of polymer blocks with different adsorption behavior by adjusting the interaction strength between the polymer block and the wall [ε_A(B)W], including weakly adsorbable (ε_A(B)W=0.6), moderately adsorbable (ε_A(B)W=1.0), and strongly adsorbable (ε_A(B)W=1.2) polymer blocks. This study identifies the key factors influencing the droplet's deposition structure and elucidates the mechanisms behind pattern formation. The findings contribute to the design of deposition patterns for cyclic diblock copolymer solution nanodroplets, enhancing applications related to droplet evaporation.

Key words: Cyclic diblock copolymer, Nanodroplet, Evaporation, Deposition pattern, Chain length and concentration

PEI Hanwen, ZHANG Jun, SUN Zhaoyan. A Computer Simulation Study on Deposition Patterns of Cyclic Diblock Copolymer Solution Nanodroplets: Influence of Polymer Length and Concentration[J]. Chemical Research in Chinese Universities, 2025, 41(1): 21-32.

References

[1] Patel B. B., Walsh D. J., Kim D. H., Kwok J., Lee B., Guironnet D., Diao Y., Sci. Adv., 2020, 6, eaaz7202.
[2] Pan H. M., Sarkar J., Goto A., ACS Appl. Polym. Mater., 2022, 4, 8676.
[3] Falahati M., Ahmadvand P., Safaee S., Chang Y.-C., Lyu Z., Chen R., Li L., Lin Y., Mater. Today, 2020, 40, 215.
[4] Ding Z., Yuan C., Peng X., Wang T., Qi H. J., Dunn M. L., Sci. Adv., 2017, 3, e1602890.
[5] Yang H., Leow W. R., Wang T., Wang J., Yu J., He K., Qi D., Wan C., Chen X., Adv. Mater., 2017, 61, 1009.
[6] Onses M. S., Ramírez-Hernández A., Hur S.-M., Sutanto E., Williamson L., Alleyne A. G., Nealey P. F., de Pablo J. J., Rogers J., Adv. Mater., 2014, 26, 6950.
[7] Kuang M., Wang L., Song Y., Adv. Mater., 2014, 26, 6950.
[8] Politakos N., Polymers, 2023, 15, 322.
[9] Wang S., Guo H., Wu Y., Mater. Futures, 2023, 2, 012105.
[10] Guan J., Sun Z., Chem. Res. Chinese Universities, 2023, 39, 741.
[11] Xiao J., Zhang M., Zhai F., Wei H., Liu S., Wang P., Liu Z., Ji Z., Wang X., Mater. Futures, 2024, 3, 025001.
[12] Zarek M., Layani M., Cooperstein I., Sachyani E., Cohn D., Magdassi S., Adv. Mater., 2016, 28, 4449.
[13] Pan H. M., Goto A., Macromol. Rapid Commun., 2023, 44, 2300074.
[14] Lang C., Lloyd E. C., Matuszewski K. E., Xu Y., Ganesan V., Huang R., Kumar M., Hickey R. J., Nat. Nanotechnol., 2022, 17, 752.
[15] Cheng C.-Y., Xie H., Xu Z.-Y., Li L., Jiang M.-N., Tang L., Yang K.-K., Wang Y.-Z., Chem. Eng. J., 2020, 396, 125242.
[16] Ding F., Liu L.-Y., Liu T.-L., Li Y.-Q., Li J.-P., Sun Z.-Y., Chin. J. Polym. Sci., 2023, 41, 422.
[17] Ding P., Yin X., Wang Q., Kang X., Wu M., Zhu K., Wang X., Wang R., Xue G., Langmuir, 2020, 36, 7289.
[18] Hu C., Lu T., Guo H., J. Membr. Sci., 2018, 564, 146.
[19] Kang S., Kim G.-H., Park S.-J., Acc. Chem. Res., 2022, 55, 2224.
[20] Xu F., Zhang J., Zhang P., Luan X., Mai Y., Mater. Chem. Front., 2019, 3, 2283.
[21] Fan J., Han Y., Cui J., Chem. J. Chinese Universities, 2021, 42, 857.
[22] Romio M., Trachsel L., Morgese G., Ramakrishna S. N., Spencer N. D., Benetti E. M., ACS Macro Lett., 2020, 9, 1024.
[23] Morgese G., Trachsel L., Romio M., Divandari M., Ramakrishna S. N., Benetti E. M., Angew. Chem. Int. Ed., 2016, 55, 15583.
[24] Zhou J., Yang J., Ishaq M. W., Li L., Macromolecules, 2022, 55, 1398.
[25] Sikorski A., Macromol. Theory Simul., 2001, 10, 38.
[26] Zhang L., Xia A., Xu Y., Eur. Polym. J., 2000, 36, 847.
[27] Yamamoto T., Tezuka Y., Soft Matter, 2015, 11, 7458.
[28] Divandari M., Morgese G., Trachsel L., Romio M., Dehghani E. S., Rosenboom J.-G., Paradisi C., Zenobi-Wong M., Ramakrishna S. N., Benetti E. M., Macromolecules, 2017, 50, 7760.
[29] Sun Y., Tan R., Ma Z., Zhou D., Li J., Kong D., Dong X.-H., Giant, 2020, 4, 100037.
[30] Lynd N. A., Hillmyer M. A., Macromolecules, 2005, 38, 8803.
[31] Lynd N. A., Hillmyer M. A., Macromolecules, 2007, 40, 8050.
[32] Lynd N. A., Meuler A. J., Hillmyer M. A., Prog. Polym. Sci., 2008, 33, 875.
[33] Liu S., Wang L., Yuan S., Cao X., Chem. J. Chinese Universities, 2019, 40, 1472.
[34] Dai L., Sun Z., Chem. J. Chinese Universities, 2020, 41, 924.
[35] Li Z., Dormidontova E. E., Macromolecules, 2010, 43, 3521.
[36] Catarino Centeno R., Bustamante-Rendón R. A., Hernández-Fragoso J. S., Arroyo-Ordoñez I., Pérez E., Alas S. J., Gama Goicochea A., J. Mol. Model., 2017, 23, 306.
[37] Tang Y., Li C., Lin Y., Zhang C., Liu Z., Yu L., Wang H., Wang X., Chem. J. Chinese Universities, 2022, 43, 281.
[38] Zang D., Zhao G., Liu X., Yin J., Ma S., Chem. Res. Chinese Universities, 2019, 35, 299.
[39] Hu H., Larson R. G., J. Phys. Chem. B, 2006, 110, 7090.
[40] Jafari Kang S., Vandadi V., Felske J. D., Masoud H., Phys. Rev. E, 2016, 94, 063104.
[41] Diddens C., Kuerten J. G. M., van der Geld C. W. M., Wijshoff H. M. A., J. Colloid Interface Sci., 2017, 487, 426.
[42] Wen Y., Kim P. Y., Shi S., Wang D., Man X., Doi M., Russell T. P., Soft Matter, 2019, 15, 2135.
[43] Deegan R. D., Bakajin O., Dupont T. F., Huber G., Nagel S. R., Witten T. A., Nature, 1997, 389, 827.
[44] Marin A. G., Gelderblom H., Lohse D., Snoeijer J. H., Phys. Rev. Lett., 2011, 107, 085502.
[45] Li Y.-F., Sheng Y.-J., Tsao H.-K., Langmuir, 2013, 29, 7802.
[46] Man X., Doi M., Phys. Rev. Lett., 2016, 116, 066101.
[47] Xu J., Xia J., Hong S. W., Lin Z., Qiu F., Yang Y., Phys. Rev. Lett., 2006, 96, 066104.
[48] Srivastava S., Wahith Z. A., Gang O., Colosqui C. E., Bhatia S. R., Adv. Mater. Interfaces, 2020, 7, 1901954.
[49] Cui L., Zhang J., Zhang X., Huang L., Wang Z., Li Y., Gao H., Zhu S., Wang T., Yang B., ACS Appl. Mater. Interfaces, 2012, 4, 2775.
[50] Yunker P. J., Still T., Lohr M. A., Yodh A. G., Nature, 2011, 476, 308.
[51] Zhang L., Maheshwari S., Chang H.-C., Zhu Y., Langmuir, 2008, 24, 3911.
[52] Kravchenko V. S., Potemkin I. I., Macromolecules, 2020, 53, 10882.
[53] Basu N., Mukherjee R., Soft Matter, 2018, 14, 7883.
[54] Li Y.-F., Sheng Y.-J., Tsao H.-K., Langmuir, 2014, 30, 7716.
[55] Hens A., Biswas G., De S., J. Chem. Phys., 2015, 143, 094702.
[56] Sun S. N., Urbassek H. M., J. Phys. Chem. B, 2011, 115, 13280.
[57] Chen W., Koplik J., Kretzschmar I., Phys. Rev. E, 2013, 87, 052404.
[58] Zhang J., Leroy F., Müller-Plathe F., Langmuir, 2013, 29, 9770.
[59] Becker S., Urbassek H. M., Horsch M., Hasse H., Langmuir, 2014, 30, 13606.
[60] Katiyar P., Singh J. K., J. Chem. Phys., 2019, 150, 044708.
[61] Evangelopoulos A. E. A. S., Rissanou A. N., Glynos E., Bitsanis I. A., Anastasiadis S. H., Koutsos V., Macromolecules, 2018, 51, 2805.
[62] Zhang J., Müller-Plathe F., Leroy F., Langmuir, 2015, 31, 7544.
[63] Derksen J. J., AIChE Journal, 2015, 61, 4020.
[64] Svoboda M., Malijevský A., Lísal M., J. Chem. Phys., 2015, 143 104701.
[65] Becker S., Kohns M., Urbassek H. M., Horsch M., Hasse H., J. Phys. Chem. C, 2017, 121, 12669.
[66] Zhang J., Milzetti J., Leroy F., Müller-Plathe F., J. Chem. Phys., 2017, 146, 114503.
[67] Gao S., Liao Q., Liu W., Liu Z., Langmuir, 2018, 34, 5910.
[68] Bi L., Liu B., Zhu Z., Theodorakis P. E., Hu H., Li Z., Physics of Fluids, 2023, 35, 012015.
[69] Gao H., Shi R., Zhu Y., Qian H., Lu Z., Chem. Res. Chinese Universities, 2022, 39, 741.
[70] Tang Y., McLaughlan J. E., Grest G. S., Cheng S., Polymers, 2022, 38, 653.
[71] Zhang J., Pei H.-W., Sun Z.-Y., Macromolecules, 2024, 57, 2574.
[72] Pei H.-W., Liu H., Lu Z.-Y., Zhu Y.-L., Phys. Rev. E, 2015, 91, 020401.
[73] Schnell B., Meyer H., Fond C., Wittmer J. P., Baschnagel J., Eur. Phys. J. E, 2011, 34, 97.
[74] Xu W.-S., Sun Z.-Y., Chin. J. Polym. Sci., 2023, 41, 1329.
[75] Zhu Y.-L., Liu H., Li Z.-W., Qian H.-J., Milano G., Lu Z.-Y., J. Comput. Chem., 2013, 34, 2197.
[76] Petrus P., Lísal M., Brennan J., Langmuir, 2010, 26, 14680.
[77] Petrus P., Lísal M., Brennan J., Langmuir, 2010, 26, 3695.
[78] Geisinger T., Müller M., Binder K., J. Chem. Phys., 1999, 111, 5241.
[79] Dai X., Wan H.-X., Zhang X., Wei W., Chen W., Zhang L., Li J., Yan L.-T., Chem. Res. Chinese Universities, 2023, 39, 709.
[80] Pei H.-W., Zhang J., Sun Z.-Y., J. Chem. Phys., 2024, 161, 014711.