Using the Rouse-Zimm model of the macromolecule, the stress constitutive equation of dilute polymer solutions is derived in the form of a functional of temperature and deformation histories. The non-equilibrium thermodynamics of the system is also considered by relating excess freeenergy, entropy a
An effective bead–spring model for polymer simulation
✍ Scribed by Bin Liu; Jizeng Wang; Xiaojun Fan; Yong Kong; Huajian Gao
- Book ID
- 104021742
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 695 KB
- Volume
- 227
- Category
- Article
- ISSN
- 0021-9991
No coin nor oath required. For personal study only.
✦ Synopsis
An effective bead-spring model combining the advantages of large time steps of traditional bead-rod models and computational rigor of traditional bead-spring models is proposed to simulate the dynamic behaviors of flexible polymer chains with arbitrary longitudinal stiffness. The proposed model can be used to simulate many types of polymer chains or networks with different chain elasticity via a unified integration scheme with reasonably large time steps.
📜 SIMILAR VOLUMES
## Abstract A continuum modification of the bead‐spring (elastic dumbbell) theory of dilute solutions of linear macromolecules, recently introduced by Gordon and Schowalter, is used to obtain explicit constitutive equations for the stress and polarizability tensors. The stress constitutive equation