Rheology of alkane chains confined between metal surfaces: a molecular dynamics simulation study

Autori: S. Pricl, M. Fermeglia
Presentato al: Southern Europe Conference on Rheology
Anno: 1999
Volume: 1
Issue: Unico
Casa Editrice: SIR-Cuen Napoli
Lingua: English


Abstract
The behavior of confined molecular liquids in shear flow is of importance in several practical applications ranging from lubrication to polymer processing. In engineering applications, flow properties are usually modeled using macroscopic equations, the solution of which requires specification of appropriate boundary conditions and numerical values of the transport coefficients (i.e., viscosity and thermal conductivity). The most commonly employed boundary condition, however, is that of no-slip (or stick) at the shearing wall, which assumes that the wall and the fluid layer next to it move at the same velocity. Further, continuum mechanics analyses often assume that the transport coefficients of the confined fluids are the same as those of a bulk fluid. Recent experiments have called these assumptions into question. Therefore, the long term goal of our work is to employ molecular mechanics/molecular dynamics simulations (MM/MD) to set a bridge between the micro- and the macroscopic pictures of flow behavior, thereby providing some insight into atomistic scale hydrodynamics near the surface as well as the effects of confinement on transport properties.


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