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Simple, Accurate and User-Friendly Differential Constitutive Model for the Rheology of Entangled Polymer Melts and Solutions from Non-Equilibrium Thermodynamics
Stephanou, P.S.; Tsimouri, I.C.; Mavrantzas, V.G. Simple, Accurate and User-Friendly Differential Constitutive Model for the Rheology of Entangled Polymer Melts and Solutions from Nonequilibrium Thermodynamics. Materials2020, 13, 2867.
Stephanou, P.S.; Tsimouri, I.C.; Mavrantzas, V.G. Simple, Accurate and User-Friendly Differential Constitutive Model for the Rheology of Entangled Polymer Melts and Solutions from Nonequilibrium Thermodynamics. Materials 2020, 13, 2867.
Stephanou, P.S.; Tsimouri, I.C.; Mavrantzas, V.G. Simple, Accurate and User-Friendly Differential Constitutive Model for the Rheology of Entangled Polymer Melts and Solutions from Nonequilibrium Thermodynamics. Materials2020, 13, 2867.
Stephanou, P.S.; Tsimouri, I.C.; Mavrantzas, V.G. Simple, Accurate and User-Friendly Differential Constitutive Model for the Rheology of Entangled Polymer Melts and Solutions from Nonequilibrium Thermodynamics. Materials 2020, 13, 2867.
Abstract
In a recent reformulation of the Marrucci-Ianniruberto constitutive equation for the rheology of entangled polymer melts in the context of non-equilibrium thermodynamics, rather large values of the convective constraint release parameter \beta_{ccr} had to be used in order not to violate the second law of thermodynamics. In this work, we present an appropriate modification of the model which avoids the splitting of the evolution equation for the conformation tensor into an orientation and a stretching part. Then, thermodynamic admissibility dictates simply that \beta_{ccr}≥ 0, thus allowing for more realistic values of \beta_{ccr} to be chosen. Moreover, and in view of recent experimental evidence for a transient stress undershoot (following the overshoot) at high shear rates whose origin may be traced back to molecular tumbling, we have incorporated in the model additional terms accounting, at least in an approximate way, for non-affine deformation through a slip parameter \xi. Use of the new model to describe available experimental data for the transient and steady-state shear and elongational rheology of entangled polystyrene melts and solutions shows close agreement. Overall, the modified model proposed here combines simplicity with accuracy, which renders it an excellent choice for managing complex viscoelastic fluid flows in large-scale numerical calculations.
Chemistry and Materials Science, Polymers and Plastics
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