A finitely extensible bead-spring chain model for dilute polymer solutions

Wedgewood, Lewis E.; Ostrov, Daniel N.; Bird, R. Byron

doi:10.1016/0377-0257(91)87029-w

Cited by 97 publications

(78 citation statements)

References 10 publications

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“…These results are also recovered for a wide variety of simple dumbbell or chain based constitutive equations ͑e.g., the FENE-P and FENE-PM͒, essentially because of the generic nature of the Graetz-Leveque argument made above. 36 At intermediate shear rates, 10 2 ՇWeՇ10 3 , the simulations do not follow the above simple scaling, but rather give exponents close to Ϫ1/2 and Ϫ5/4. Similar scalings were observed by Doyle et al 33 for simulations of bead-rod chains.…”

Section: ͑27͒mentioning

confidence: 92%

Stochastic simulations of DNA in flow: Dynamics and the effects of hydrodynamic interactions

Jendrejack

Pablo

Graham

2002

The Journal of Chemical Physics

269

364

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We present a fully parametrized bead-spring chain model for stained -phage DNA. The model accounts for the finite extensibility of the molecule, excluded volume effects, and fluctuating hydrodynamic interactions ͑HI͒. Parameters are determined from equilibrium experimental data for 21 m stained -phage DNA, and are shown to quantitatively predict the non-equilibrium behavior of the molecule. The model is then used to predict the equilibrium and nonequilibrium behavior of DNA molecules up to 126 m. In particular, the HI model gives results that are in quantitative agreement with experimental diffusivity data over a wide range of molecular weights. When the bead friction coefficient is fit to the experimental relaxation time at a particular molecular weight, the stretch in shear and extensional flows is adequately predicted by either a free-draining or HI model at that molecular weight, although the fitted bead friction coefficients for the two models differ significantly. In shear flow, we find two regimes at high shear rate (␥ ) that follow different scaling behavior. In the first, the viscosity and first normal stress coefficient scale roughly as ␥ Ϫ6/11 and ␥ Ϫ14/11 , respectively. At higher shear rates, these become ␥ Ϫ2/3 and ␥ Ϫ4/3 . These regimes are found for both free-draining and HI models and can be understood based on scaling arguments for the diffusion of chain ends.

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Section: ͑27͒mentioning

confidence: 92%

Stochastic simulations of DNA in flow: Dynamics and the effects of hydrodynamic interactions

Jendrejack

Pablo

Graham

2002

The Journal of Chemical Physics

269

364

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“…where XH is a characteristic time defined as &H. The dimensionless zero elongation rate elongational viscosity, $0, based on the FENE-PM kinetic theory (Wedgewood et al, 1991) is given by 3(7?0-77s) b N2-1 =--3nkB7h, b+3 3 ' (13) where the zero elongation rate elongational viscosity has been replaced by three times the zero shear rate viscosity, m, as has been shown analytically and experimentally (Larson, 1988;Bird et al, 1987b). The normalized elongational viscosity is therefore given by 7;1-37777s WV',-Wx)I b+3 3…”

Section: Methodsmentioning

confidence: 99%

“…(1980) attempted to simplify the calculations with a transformation to normal coordinates, but an error was made in the derivation. To correct this, Wedgewood et al (1991) proposed that the arithmetic mean of the average extensions be constrained to a maximum value. The resulting FENE-PM theory greatly reduced the computational difficulty and the rheological properties in both shear and elongational flow were calculated.…”

Section: Introductionmentioning

confidence: 99%

Brownian dynamics simulation of bead–spring chain models for dilute polymer solutions in elongational flow

Fetsko¹,

Cummings²

1995

Journal of Rheology

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SynopsisWe report results of Brownian dynamics simulations of the steady state and transient rheological behavior of bead and spring chain models in elongational flow. The simulations include examination of the effects of excluded volume, hydrodynamic interactions, chain length, and maximum bond extension. Hydrodynamic interactions are modeled by the Rotne-Prager-Yamakawa tensor. The steady state results for the rheological properties of finitely extensible nonlinear elastic (FENE) chains in the absence of hydrodynamic interactions and excluded volume interactions are compared with the analytic FENE-PM theory of Wedgewood and co-workers. For bead and spring models with short bond lengths, excluded volume and hydrodynamic interactions are shown to affect the steady state rheological properties significantly. 0 1995 Society of Rheology.

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“…The FENE-P model is obtained by a pre-averaging approximation applied to a suspension of non interacting finitely extensible non-linear elastic (FENE) dumbbells, which accounts for the finite extensibility of the molecule [43]. Li et al [44] carried out the direct numerical simulation of the forced homogeneous isotropic turbulence with/without polymer additives.…”

Section: Mechanism Of Turbulent Drag Reduction With Polymersmentioning

confidence: 99%

Applications of Water-Soluble Polymers in Turbulent Drag Reduction

2017

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Water-soluble polymers with high molecular weights are known to decrease the frictional drag in turbulent flow very effectively at concentrations of tens or hundreds of ppm. This drag reduction efficiency of water-soluble polymers is well known to be closely associated with the flow conditions and rheological, physical, and/or chemical characteristics of the polymers added. Among the many promising polymers introduced in the past several decades, this review focuses on recent progress in the drag reduction capability of various water-soluble macromolecules in turbulent flow including both synthetic and natural polymers such as poly(ethylene oxide), poly(acrylic acid), polyacrylamide, poly(N-vinyl formamide), gums, and DNA. The polymeric species, experimental parameters, and numerical analysis of these water-soluble polymers in turbulent drag reduction are highlighted, along with several existing and potential applications. The proposed drag reduction mechanisms are also discussed based on recent experimental and numerical researches. This article will be helpful to the readers to understand better the complex behaviors of a turbulent flow with various water-soluble polymeric additives regarding experimental conditions, drag reduction mechanisms, and related applications.

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A finitely extensible bead-spring chain model for dilute polymer solutions

Cited by 97 publications

References 10 publications

Stochastic simulations of DNA in flow: Dynamics and the effects of hydrodynamic interactions

Stochastic simulations of DNA in flow: Dynamics and the effects of hydrodynamic interactions

Brownian dynamics simulation of bead–spring chain models for dilute polymer solutions in elongational flow

Applications of Water-Soluble Polymers in Turbulent Drag Reduction

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