Dynamics of short polymer chains in solution
By A. Malevanets, Julia M. Yeomans. 2000
180 citations recorded by the source corpus.
We present numerical and analytical results describing the effect of hydrodynamic interactions on the dynamics of a short polymer chain in solution. A molecular dynamics algorithm for the polymer is coupled to a direct simulation Monte Carlo algorithm for the solvent. We give an explicit expression for the velocity autocorrelation function of the centre of mass of the polymer which agrees well with numerical results if Brownian dynamics, hydrodynamic correlations and sound wave scattering are included.
Subfields: Biomedical Engineering, Fluid Flow and Transfer Processes, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/09cea83cc0ff6dae435d9aad91a42b52c68ae162
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In Biomedical Engineering
In Fluid Flow and Transfer Processes
In Materials Chemistry
Citations in the corpus
- Multiparticle Collision Dynamics: Simulation of Complex Systems on Mesoscales (2008, background): “In order to couple solute and bath particles, the solute particles are included in the multiparticle collision step [40].”