In a recent study, the resolution of a polymer chain model was shown to significantly affect rheological predictions from Brownian dynamics (BD) simulations [Kumar and Dalal, “Effects of chain resolution on the configurational and rheological predictions from Brownian dynamics simulations of an isolated polymer chain in flow,” J. Non-Newtonian Fluid Mech. 315, 105017 (2023)], even in the absence of hydrodynamic interactions (HI) and excluded volume. In this study, we investigate the effects of chain resolution in the presence of HI. Toward this, we perform BD simulations of a long polymer chain, with the discretization level varying from a single Kuhn step (bead–rod model) to several tens of Kuhn-steps (bead–spring model). The chain models were subjected to flow fields of uniaxial extension (purely stretching) and steady shear (equal rates of stretching and rotation). Broadly, our results indicate an amplification of the differences observed between the differently resolved bead–rod and bead–spring models, in the presence of HI. Interestingly, all rheological predictions qualitatively fall in two groups for extensional flow, with the predictions from the bead–spring model with HI being close to those of the bead–rod model without HI. This indicates significantly reduced sensitivity of coarser bead–spring models to HI, relative to the one resolved to a single Kuhn step. However, in shear flow, the bead–spring rheological predictions fall between those of the bead–rod model with and without HI, forming a third group. This is linked to the presence of stretched and coiled states in the ensemble for shear flow. HI effects are large for the coiled states and weak for the stretched states, thereby yielding predictions that are intermediate between those for no HI and dominant HI. Thus, quite surprisingly, the quality of predictions of the bead–spring models is strongly affected by the physics of the flow field, irrespective of the parameterization.
Skip Nav Destination
Article navigation
March 2024
Research Article|
March 01 2024
Effects of chain resolution on the configurational and rheological predictions of dilute polymer solutions in flow fields with hydrodynamic interactions
Special Collection:
Tanner: 90 Years of Rheology
Praphul Kumar
;
Praphul Kumar
(Data curation, Formal analysis, Investigation, Methodology, Validation, Writing – original draft)
1
Department of Chemical Engineering, Indian Institute of Technology Kanpur
, Kanpur 208016, India
Search for other works by this author on:
S. V. Siva Krishna
;
S. V. Siva Krishna
(Data curation, Methodology)
1
Department of Chemical Engineering, Indian Institute of Technology Kanpur
, Kanpur 208016, India
Search for other works by this author on:
Bharatkumar Sharma
;
Bharatkumar Sharma
(Data curation, Resources)
2
NVIDIA Graphics Pvt. Ltd.
, Bangalore 560045, India
Search for other works by this author on:
Indranil Saha Dalal
Indranil Saha Dalal
a)
(Conceptualization, Supervision)
1
Department of Chemical Engineering, Indian Institute of Technology Kanpur
, Kanpur 208016, India
a)Author to whom correspondence should be addressed: indrasd@iitk.ac.in
Search for other works by this author on:
a)Author to whom correspondence should be addressed: indrasd@iitk.ac.in
Physics of Fluids 36, 033102 (2024)
Article history
Received:
November 30 2023
Accepted:
February 04 2024
Citation
Praphul Kumar, S. V. Siva Krishna, Bharatkumar Sharma, Indranil Saha Dalal; Effects of chain resolution on the configurational and rheological predictions of dilute polymer solutions in flow fields with hydrodynamic interactions. Physics of Fluids 1 March 2024; 36 (3): 033102. https://doi.org/10.1063/5.0189750
Download citation file:
Sign in
Don't already have an account? Register
Sign In
You could not be signed in. Please check your credentials and make sure you have an active account and try again.
Pay-Per-View Access
$40.00
215
Views
Citing articles via
On Oreology, the fracture and flow of “milk's favorite cookie®”
Crystal E. Owens, Max R. Fan (范瑞), et al.
A unified theory for bubble dynamics
A-Man Zhang (张阿漫), 张阿漫, et al.
Computational fluid–structure interaction in biology and soft robots: A review
R. Pramanik, R. W. C. P. Verstappen, et al.
Related Content
Analysis and estimation of time step sizes and stiffness parameters for efficient simulations of macromolecules with hydrodynamic interactions
Physics of Fluids (March 2024)
Parameter-free prediction of DNA dynamics in planar extensional flow of semidilute solutions
J. Rheol. (January 2017)
Multiple regimes of deformation in shearing flow of isolated polymers
J. Rheol. (March 2012)
A successive fine-graining scheme for predicting the rheological properties of dilute polymer solutions
J. Rheol. (November 2004)