Excess entropy scaling of transport properties of Lennard-Jones chains.

@article{Goel2008ExcessES,
  title={Excess entropy scaling of transport properties of Lennard-Jones chains.},
  author={Teena Goel and Chandra N. Patra and Tulsi Mukherjee and Charusita Chakravarty},
  journal={The Journal of chemical physics},
  year={2008},
  volume={129 16},
  pages={
          164904
        }
}

• Teena Goel, Chandra N. Patra, +1 author Charusita Chakravarty
• Published in
  The Journal of chemical…
  2008
• DOI:10.1063/1.2995990

Excess-entropy scaling relationships for diffusivity and viscosity of Lennard-Jones chain fluids are tested using molecular dynamics simulations for chain sizes that are sufficiently small that chain entanglement effects are insignificant. The thermodynamic excess entropy S(e) is estimated using self-associating fluid theory (SAFT). A structural measure of the entropy S(2) is also computed from the monomer-monomer pair correlation function, g(m)(r). The thermodynamic and structural estimators… CONTINUE READING

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