Citation: Zhen-Yue Yang, Xiao-Fei Tian, Li-Jun Liu, Ji-Zhong Chen. Role of Hydrodynamic Interactions in the Deformation of Star Polymers in Poiseuille Flow[J]. Chinese Journal of Polymer Science, ;2020, 38(4): 363-370. doi: 10.1007/s10118-020-2346-5 shu

Role of Hydrodynamic Interactions in the Deformation of Star Polymers in Poiseuille Flow

a.
State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
b.
University of Chinese Academy of Sciences, Beijing 100049, China

Corresponding author: Li-Jun Liu, ljliu@ciac.ac.cn Ji-Zhong Chen, jzchen@ciac.ac.cn
Received Date: 7 July 2019
Revised Date: 6 August 2019
Available Online: 24 October 2019

Stretching polymer in fluid flow is a vital process for studying and utilizing the physical properties of these molecules, such as DNA linearization in nanofluidic channels. We studied the role of hydrodynamic interactions (HIs) in stretching a free star polymer in Poiseuille flow through a tube using mesoscale hydrodynamic simulations. As increasing the flow strength, star polymers migrate toward the centerline of tube due to HIs, whereas toward the tube wall in the absence of HIs. By analyzing the end monomer distribution and the perturbed flow around the star polymer, we found that the polymer acts like a shield against the flow, leading to additional hydrodynamic drag forces that compress the arm chains in the front of the star center toward the tube axis and lift the arm chains at the back toward the tube wall. The balanced hydrodynamic forces freeze the polymer into a trumpet structure, where the arm chains maintain a steady strongly stretched state at high flow strength. In contrast, the polymer displays remarkably large conformational change when switching off HIs. Our simulation results explained the coupling between HIs and the structure of star polymers in Poiseuille flow.
- Hydrodynamic interactions,
- Star polymer,
- Poiseuille flow,
- Migration
1. [1]
  Larson, R. G. The structure and rheology of complex fluids. New York, Oxford University Press, 1999.
2. [2]
  Bird, R. B.; Armstrong, R. C.; Hassager, O. Dynamics of polymeric liquids: fluid mechanics. New York, Wiley, 1987.
3. [3]
  Leduc, P.; Haber, C.; Bao, G.; Wirtz, D. Dynamics of individual flexible polymers in a shear flow. Nature 1999, 399, 564−566. doi: 10.1038/21148
4. [4]
  Saha Dalal, I.; Albaugh, A.; Hoda, N.; Larson, R. G. Tumbling and deformation of isolated polymer chains in shearing flow. Macromolecules 2012, 45, 9493−9499. doi: 10.1021/ma3014349
5. [5]
  Chen, W.; Chen, J.; Liu, L.; Xu, X.; An, L. Effects of chain stiffness on conformational and dynamical properties of individual ring polymers in shear flow. Macromolecules 2013, 46, 7542−7549. doi: 10.1021/ma401137c
6. [6]
  Chen, W.; Chen, J.; An, L. Tumbling and tank-treading dynamics of individual ring polymers in shear flow. Soft Matter 2013, 9, 4312−4318. doi: 10.1039/c3sm50352f
7. [7]
  Nikoubashman, A.; Likos, C. N. Branched polymers under shear. Macromolecules 2010, 43, 1610−1620. doi: 10.1021/ma902212s
8. [8]
  Singh, S. P.; Gompper, G.; Winkler, R. G. Steady state sedimentation of ultrasoft colloids. J. Chem. Phys. 2018, 148, 084901. doi: 10.1063/1.5001886
9. [9]
  Grest, G. S.; Kremer, K.; Witten, T. A. Structure of many-arm star polymers: a molecular dynamics simulation. Macromolecules 1987, 20, 1376−1383. doi: doi.org/10.1021/ma00172a035
10. [10]
  Vlassopoulos, D.; Fytas, G.; Pakula, T.; Roovers, J. Multiarm star polymers dynamics. J. Phys.: Condens. Matter 2001, 13, R855−R876. doi: 10.1088/0953-8984/13/41/202
11. [11]
  Likos, C. N. Effective interactions in soft condensed matter physics. Phys. Rep. 2001, 348, 267−439. doi: 10.1016/S0370-1573(00)00141-1
12. [12]
  Xu, X.; Chen, J. Effect of functionality on unentangled star polymers at equilibrium and under shear flow. J. Chem. Phys. 2016, 144, 244905. doi: 10.1063/1.4955098
13. [13]
  Ren, J. M.; McKenzie, T. G.; Fu, Q.; Wong, E. H. H.; Xu, J. T.; An, Z. S.; Shanmugam, S.; Davis, T. P.; Boyer, C.; Qiao, G. G. Star polymers. Chem. Rev. 2016, 116, 6743−6836. doi: 10.1021/acs.chemrev.6b00008
14. [14]
  Ferry, J. D. Viscoelastic properties of polymers. New York, Wiley, 1980.
15. [15]
  Zimm, B. H. Dynamics of polymer molecules in dilute solution: viscoelasticity, flow birefringence and dielectric loss. J. Chem. Phys. 1956, 24, 269−278. doi: 10.1063/1.1742462
16. [16]
  Debye, P.; Bueche, A. M. Intrinsic viscosity, diffusion, and sedimentation rate of polymers in solution. J. Chem. Phys. 1948, 16, 573−579. doi: 10.1063/1.1746948
17. [17]
  De Gennes, P. G. Coil-stretch transition of dilute flexible polymers under ultrahigh velocity gradients. J. Chem. Phys. 1974, 60, 5030−5042. doi: 10.1063/1.1681018
18. [18]
  Brochard-Wyart, F. Deformations of one tethered chain in strong flows. Europhys. Lett. 1993, 23, 105−111. doi: 10.1209/0295-5075/23/2/005
19. [19]
  Brochard-Wyart, F.; Hervet, H.; Pincus, P. Unwinding of polymer-chains under forces or flows. Europhys. Lett. 1994, 26, 511−516. doi: 10.1209/0295-5075/26/7/006
20. [20]
  Ladoux, B.; Doyle, P. S. Stretching tethered DNA chains in shear flow. Europhys. Lett. 2000, 52, 511−517. doi: 10.1209/epl/i2000-00467-y
21. [21]
  Brochardwyart, F. Polymer chains under strong flows: stems and flowers. Europhys. Lett. 1995, 30, 387−392. doi: 10.1209/0295-5075/30/7/002
22. [22]
  Perkins, T. T.; Smith, D. E.; Larson, R. G.; Chu, S. Stretching of a single tethered polymer in a uniform flow. Science 1995, 268, 83−87. doi: 10.1126/science.7701345
23. [23]
  Gratton, Y.; Slater, G. W. Molecular dynamics study of tethered polymers in shear flow. Eur. Phys. J. E 2005, 17, 455−465. doi: 10.1140/epje/i2005-10020-0
24. [24]
  Webster, M. A.; Yeomans, J. M. Modeling a tethered polymer in Poiseuille flow. J. Chem. Phys. 2005, 122, 164903. doi: 10.1063/1.1884105
25. [25]
  Smith, D. E.; Babcock, H. P.; Chu, S. Single-polymer dynamics in steady shear flow. Science 1999, 283, 1724−1727. doi: 10.1126/science.283.5408.1724
26. [26]
  Jendrejack, R. M.; Dimalanta, E. T.; Schwartz, D. C.; Graham, M. D.; de Pablo, J. J. DNA dynamics in a microchannel. Phys. Rev. Lett. 2003, 91, 038102. doi: 10.1103/PhysRevLett.91.038102
27. [27]
  Jendrejack, R. M.; Schwartz, D. C.; de Pablo, J. J.; Graham, M. D. Shear-induced migration in flowing polymer solutions: simulation of long-chain DNA in microchannels. J. Chem. Phys. 2004, 120, 2513−2529. doi: 10.1063/1.1637331
28. [28]
  Schroeder, C. M.; Teixeira, R. E.; Shaqfeh, E. S. G.; Chu, S. Characteristic periodic motion of polymers in shear flow. Phys. Rev. Lett. 2005, 95, 018301. doi: 10.1103/PhysRevLett.95.018301
29. [29]
  Ripoll, M.; Winkler, R. G.; Gompper, G. Star polymers in shear flow. Phys. Rev. Lett. 2006, 96, 188302. doi: 10.1103/PhysRevLett.96.188302
30. [30]
  Delgado-Buscalioni, R. Cyclic motion of a grafted polymer under shear flow. Phys. Rev. Lett. 2006, 96, 088303. doi: 10.1103/PhysRevLett.96.088303
31. [31]
  Ripoll, M.; Winkler, R. G.; Gompper, G. Hydrodynamic screening of star polymers in shear flow. Eur. Phys. J. E 2007, 23, 349−354. doi: 10.1140/epje/i2006-10220-0
32. [32]
  Cannavacciuolo, L.; Winkler, R. G.; Gompper, G. Mesoscale simulations of polymer dynamics in microchannel flows. EPL 2008, 83, 34007. doi: 10.1209/0295-5075/83/34007
33. [33]
  Steinhauser, D.; Koester, S.; Pfohl, T. Mobility gradient induces cross-streamline migration of semiflexible polymers. ACS Macro Lett. 2012, 1, 541−545. doi: 10.1021/mz3000539
34. [34]
  Chertkov, M.; Kolokolov, I.; Lebedev, V.; Turitsyn, K. Polymer statistics in a random flow with mean shear. J. Fluid Mechanics 2005, 531, 251−260. doi: 10.1017/S0022112005003939
35. [35]
  Celani, A.; Puliafito, A.; Turitsyn, K. Polymers in linear shear flow: a numerical study. Europhys. Lett. 2005, 70, 464−470. doi: 10.1209/epl/i2005-10015-5
36. [36]
  Winkler, R. G. Semiflexible polymers in shear flow. Phys. Rev. Lett. 2006, 97, 128301. doi: 10.1103/PhysRevLett.97.128301
37. [37]
  Rzehak, R.; Kienle, D.; Kawakatsu, T.; Zimmermann, W. Partial draining of a tethered polymer in flow. Europhys. Lett. 1999, 46, 821−826. doi: 10.1209/epl/i1999-00338-1
38. [38]
  Sendner, C.; Netz, R. R. Single flexible and semiflexible polymers at high shear: non-monotonic and non-universal stretching response. Eur. Phys. J. E 2009, 30, 75−81.
39. [39]
  Sing, C. E.; Alexander-Katz, A. Giant nonmonotonic stretching response of a self-associating polymer in shear flow. Phys. Rev. Lett. 2011, 107, 198302. doi: 10.1103/PhysRevLett.107.198302
40. [40]
  Liebetreu, M.; Ripoll, M.; Likos, C. N. Trefoil knot hydrodynamic delocalization on sheared ring polymers. ACS Macro Lett. 2018, 7, 447−452. doi: 10.1021/acsmacrolett.8b00059
41. [41]
  Weeks, J. D.; Chandler, D.; Andersen, H. C. Role of repulsive forces in determining the equilibrium structure of simple liquids. J. Chem. Phys. 1971, 54, 5237−5247. doi: 10.1063/1.1674820
42. [42]
  Bishop, M.; Kalos, M. H.; Frisch, H. L. Molecular-dynamics of polymeric systems. J. Chem. Phys. 1979, 70, 1299−1304. doi: 10.1063/1.437567
43. [43]
  Kremer, K.; Grest, G. S. Dynamics of entangled linear polymer melts: a molecular-dynamics simulation. J. Chem. Phys. 1990, 92, 5057−5086. doi: 10.1063/1.458541
44. [44]
  Li, Z. Q.; Li, Y. W.; Wang, Y. M.; Sun, Z. Y; An, L. J. Transport of star-branched polymers in nanoscale pipe channels simulated with disspative particle dynamics simualtion. Macromolecules 2010, 43, 5896−5903. doi: 10.1021/ma100734r
45. [45]
  Malevanets, A.; Kapral, R. Mesoscopic model for solvent dynamics. J. Chem. Phys. 1999, 110, 8605−8613. doi: 10.1063/1.478857
46. [46]
  Malevanets, A.; Kapral, R. Solute molecular dynamics in a mesoscale solvent. J. Chem. Phys. 2000, 112, 7260−7269. doi: 10.1063/1.481289
47. [47]
  Mussawisade, K.; Ripoll, M.; Winkler, R. G.; Gompper, G. Dynamics of polymers in a particle-based mesoscopic solvent. J. Chem. Phys. 2005, 123, 144905. doi: 10.1063/1.2041527
48. [48]
  Ihle, T.; Kroll, D. M. Stochastic rotation dynamics II. Transport coefficients, numerics, and long-time tails. Phys. Rev. E 2003, 67, 066706.
49. [49]
  Ihle, T.; Kroll, D. M. Stochastic rotation dynamics: a Galilean-invariant mesoscopic model for fluid flow. Phys. Rev. E 2001, 63, 020201(R). doi: 10.1103/PhysRevE.63.020201
50. [50]
  Ihle, T.; Kroll, D. M. Stochastic rotation dynamics I. Formalism, Galilean invariance, and Green-Kubo relations. Phys. Rev. E 2003, 67, 066705.
51. [51]
  Huang, C. C.; Chatterji, A.; Sutmann, G.; Gompper, G.; Winkler, R. G. Cell-level canonical sampling by velocity scaling for multiparticle collision dynamics simulations. J. Comput. Phys. 2010, 229, 168−177. doi: 10.1016/j.jcp.2009.09.024
52. [52]
  Padding, J. T.; Louis, A. A. Hydrodynamic interactions and Brownian forces in colloidal suspensions: coarse-graining over time and length scales. Phys. Rev. E 2006, 74, 031402.
53. [53]
  Nikoubashman, A.; Likos, C. N. Flow-induced polymer translocation through narrow and patterned channels. J. Chem. Phys. 2010, 133, 074901. doi: 10.1063/1.3466918
54. [54]
  Nikoubashman, A.; Mahynski, N. A.; Pirayandeh, A. H.; Panagiotopoulos, A. Z. Flow-induced demixing of polymer-colloid mixtures in microfluidic channels. J. Chem. Phys. 2014, 140, 094903. doi: 10.1063/1.4866762
55. [55]
  Weiss, L. B.; Nikoubashman, A.; Likos, C. N. Topology-sensitive microfluidic filter for polymers of varying stiffness. ACS Macro Lett. 2017, 6, 1426−1431. doi: 10.1021/acsmacrolett.7b00768
56. [56]
  Srivastva, D.; Nikoubashman, A. Flow behavior of chain and star polymers and their mixtures. Polymers 2018, 10, 599. doi: 10.3390/polym10060599
57. [57]
  Lamura, A.; Gompper, G.; Ihle, T.; Kroll, D. M. Multi-particle collision dynamics: flow around a circular and a square cylinder. Europhys. Lett. 2001, 56, 319−325. doi: 10.1209/epl/i2001-00522-9
58. [58]
  Lamura, A.; Gompper, G. Numerical study of the flow around a cylinder using multi-particle collision dynamics. Eur. Phys. J. E 2002, 9, 477−485. doi: 10.1140/epje/i2002-10107-0
59. [59]
  Chelakkot, R.; Winkler, R. G.; Gompper, G. Migration of semiflexible polymers in microcapillary flow. Europhys. Lett. 2010, 91, 14001. doi: 10.1209/0295-5075/91/14001
60. [60]
  Chelakkot, R.; Winkler, R. G.; Gompper, G. Semiflexible polymer conformation, distribution and migration in microcapillary flows. J. Phys.: Condens. Matter 2011, 23, 184117. doi: 10.1088/0953-8984/23/18/184117
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