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

Zhen-Yue Yang; Xiao-Fei Tian; Li-Jun Liu; Ji-Zhong Chen

doi:10.1007/s10118-020-2346-5

Your Location：

Home >

Browse articles >

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

ARTICLE | Updated：2019-10-24

- Role of Hydrodynamic Interactions in the Deformation of Star Polymers in Poiseuille Flow
- Chinese Journal of Polymer Science Vol. 38, Issue 4, Pages: 363-370(2020)
- Affiliations：
  
  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
- Author bio：
  
  ljliu@ciac.ac.cn (L.J.L.)
  jzchen@ciac.ac.cn (J.Z.C.)
- Funds：
- DOI：10.1007/s10118-020-2346-5
  CLC：
- Received：07 July 2019，
  
  Revised：2019-8-6，
  
  Accepted：28 August 2019，
  
  Online First：24 October 2019，
  
  Published：2020-04
- Accepted：
Scan QR Code
Yang, Z. Y.; Tian, X. F.; Liu, L. J.; Chen, J. Z. Role of hydrodynamic interactions in the deformation of star polymers in poiseuille flow. Chinese J. Polym. Sci. 2020, 38, 363–370

Zhen-Yue Yang, Xiao-Fei Tian, Li-Jun Liu, et al. Role of Hydrodynamic Interactions in the Deformation of Star Polymers in Poiseuille Flow[J]. Chinese Journal of Polymer Science, 2020, 38(4): 363-370.
Yang, Z. Y.; Tian, X. F.; Liu, L. J.; Chen, J. Z. Role of hydrodynamic interactions in the deformation of star polymers in poiseuille flow. Chinese J. Polym. Sci. 2020, 38, 363–370 DOI： 10.1007/s10118-020-2346-5.

Zhen-Yue Yang, Xiao-Fei Tian, Li-Jun Liu, et al. 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.

摘要

Abstract

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.

关键词

Keywords

references

Larson, R. G. The structure and rheology of complex fluids . New York, Oxford University Press, 1999 .

Bird, R. B.; Armstrong, R. C.; Hassager, O. Dynamics of polymeric liquids: fluid mechanics . New York, Wiley, 1987 .

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 http://doi.org/10.1038/21148 .

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 http://doi.org/10.1021/ma3014349 .

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 http://doi.org/10.1021/ma401137c .

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 http://doi.org/10.1039/c3sm50352f .

Nikoubashman, A.; Likos, C. N . Branched polymers under shear . Macromolecules , 2010 . 43 1610 - 1620 . DOI: 10.1021/ma902212s http://doi.org/10.1021/ma902212s .

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 http://doi.org/10.1063/1.5001886 .

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 http://doi.org/doi.org/10.1021/ma00172a035 .

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 http://doi.org/10.1088/0953-8984/13/41/202 .

Likos, C. N . Effective interactions in soft condensed matter physics . Phys. Rep. , 2001 . 348 267 - 439 . DOI: 10.1016/S0370-1573(00)00141-1 http://doi.org/10.1016/S0370-1573(00)00141-1 .

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 http://doi.org/10.1063/1.4955098 .

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 http://doi.org/10.1021/acs.chemrev.6b00008 .

Ferry, J. D. Viscoelastic properties of polymers . New York, Wiley, 1980 .

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 http://doi.org/10.1063/1.1742462 .

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 http://doi.org/10.1063/1.1746948 .

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 http://doi.org/10.1063/1.1681018 .

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 http://doi.org/10.1209/0295-5075/23/2/005 .

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 http://doi.org/10.1209/0295-5075/26/7/006 .

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 http://doi.org/10.1209/epl/i2000-00467-y .

Brochardwyart, F . Polymer chains under strong flows: stems and flowers . Europhys. Lett. , 1995 . 30 387 - 392 . DOI: 10.1209/0295-5075/30/7/002 http://doi.org/10.1209/0295-5075/30/7/002 .

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 http://doi.org/10.1126/science.7701345 .

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 http://doi.org/10.1140/epje/i2005-10020-0 .

Webster, M. A.; Yeomans, J. M . Modeling a tethered polymer in Poiseuille flow . J. Chem. Phys. , 2005 . 122 164903 DOI: 10.1063/1.1884105 http://doi.org/10.1063/1.1884105 .

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 http://doi.org/10.1126/science.283.5408.1724 .

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 http://doi.org/10.1103/PhysRevLett.91.038102 .

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 http://doi.org/10.1063/1.1637331 .

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 http://doi.org/10.1103/PhysRevLett.95.018301 .

Ripoll, M.; Winkler, R. G.; Gompper, G . Star polymers in shear flow . Phys. Rev. Lett. , 2006 . 96 188302 DOI: 10.1103/PhysRevLett.96.188302 http://doi.org/10.1103/PhysRevLett.96.188302 .

Delgado-Buscalioni, R . Cyclic motion of a grafted polymer under shear flow . Phys. Rev. Lett. , 2006 . 96 088303 DOI: 10.1103/PhysRevLett.96.088303 http://doi.org/10.1103/PhysRevLett.96.088303 .

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 http://doi.org/10.1140/epje/i2006-10220-0 .

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 http://doi.org/10.1209/0295-5075/83/34007 .

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 http://doi.org/10.1021/mz3000539 .

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 http://doi.org/10.1017/S0022112005003939 .

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 http://doi.org/10.1209/epl/i2005-10015-5 .

Winkler, R. G . Semiflexible polymers in shear flow . Phys. Rev. Lett. , 2006 . 97 128301 DOI: 10.1103/PhysRevLett.97.128301 http://doi.org/10.1103/PhysRevLett.97.128301 .

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 http://doi.org/10.1209/epl/i1999-00338-1 .

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 . .

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 http://doi.org/10.1103/PhysRevLett.107.198302 .

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 http://doi.org/10.1021/acsmacrolett.8b00059 .

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 http://doi.org/10.1063/1.1674820 .

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 http://doi.org/10.1063/1.437567 .

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 http://doi.org/10.1063/1.458541 .

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 http://doi.org/10.1021/ma100734r .

Malevanets, A.; Kapral, R . Mesoscopic model for solvent dynamics . J. Chem. Phys. , 1999 . 110 8605 - 8613 . DOI: 10.1063/1.478857 http://doi.org/10.1063/1.478857 .

Malevanets, A.; Kapral, R . Solute molecular dynamics in a mesoscale solvent . J. Chem. Phys. , 2000 . 112 7260 - 7269 . DOI: 10.1063/1.481289 http://doi.org/10.1063/1.481289 .

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 http://doi.org/10.1063/1.2041527 .

Ihle, T.; Kroll, D. M . Stochastic rotation dynamics II. Transport coefficients, numerics, and long-time tails . Phys. Rev. E , 2003 . 67 066706 .

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 http://doi.org/10.1103/PhysRevE.63.020201 .

Ihle, T.; Kroll, D. M . Stochastic rotation dynamics I. Formalism, Galilean invariance, and Green-Kubo relations . Phys. Rev. E , 2003 . 67 066705 .

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 http://doi.org/10.1016/j.jcp.2009.09.024 .

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 .

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 http://doi.org/10.1063/1.3466918 .

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 http://doi.org/10.1063/1.4866762 .

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 http://doi.org/10.1021/acsmacrolett.7b00768 .

Srivastva, D.; Nikoubashman, A . Flow behavior of chain and star polymers and their mixtures . Polymers , 2018 . 10 599 DOI: 10.3390/polym10060599 http://doi.org/10.3390/polym10060599 .

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 http://doi.org/10.1209/epl/i2001-00522-9 .

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 http://doi.org/10.1140/epje/i2002-10107-0 .

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 http://doi.org/10.1209/0295-5075/91/14001 .

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 http://doi.org/10.1088/0953-8984/23/18/184117 .

Views

Downloads

CSCD

Alert me when the article has been cited

Submit

Tools

Publicity Resources

Comparative Investigation of the Migration Behavior of Two Stearate Acid Scavengers from Ziegler-Natta Polypropylene into Water during Autoclaving Treatment

Unsteady Dynamics of Vesicles in a Confined Poiseuille Flow

Molecular Dynamics Study of Star Polymer Melts under Start-up Shear

Highly Regio- and trans-Selective Ring-opening Metathesis Polymerization of Chiral Aza-norbornene with a Simple Phenylimido-Tungsten Catalyst

End-group and Side-chain Dual-engineering of Selenium-fused Acceptors for 20.08% Efficiency Polymer Solar Cells with Low Energy Loss

Related Author

Jia-Chun Feng

Zhi-Qin Liu

Hong-Xing Zhang

Yan Gao

Xin Wang

Fu-Shan Wang

Xin-Rao Zhang

Jing-Lei Hu

Related Institution

Lanzhou Petrochemical Corporation of PetroChina

State Key Laboratory of Molecular Engineering of Polymers, Department of Macromolecular Science, Fudan University

Kuang Yaming Honors School & Institute for Brain Sciences, Nanjing University

Department of Polymer Science and Engineering, State Key Laboratory of Coordination Chemistry and Collaborative Innovation Center of Chemistry for Life Sciences, Key Laboratory of High Performance Polymer Material and Technology of Ministry of Education, School of Chemistry and Chemical Engineering, Nanjing University

Key Laboratory of Automobile Materials, Ministry of Education and College of Materials Science and Engineering, Jilin University

⁰