Self-diffusion coefficient of bulk and confined water : a critical review of classical molecular simulation studies

Self-diffusion coefficient of bulk and confined water : a critical review of classical molecular simulation studies

Ioannis N. Tsimpanogiannis, Othonas A. Moultos, Luis F. M. Franco, Marcelle B. de M. Spera, Mate Erdos

ARTIGO

Inglês

Agradecimentos: This work was supported by Qatar National Research Fund [grant number
NPRP 6-1157-2-471, NPRP 6-1547-2-632, NPRP 8-1648-2-688]; partial
support of the work by the project ‘Development of Materials and Devices
for Industrial, Health, Environmental and Cultural Applications’...

We present a detailed overview of classical molecular simulation studies examining the self-diffusion coefficient of water. The self-diffusion coefficient is directly associated with the calculations of tracer or mutual diffusion coefficient of mixtures and, therefore, is a fundamental transport...

CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQ

Fechado

Self-diffusion coefficient of bulk and confined water : a critical review of classical molecular simulation studies

Ioannis N. Tsimpanogiannis, Othonas A. Moultos, Luis F. M. Franco, Marcelle B. de M. Spera, Mate Erdos


										

Self-diffusion coefficient of bulk and confined water : a critical review of classical molecular simulation studies

Ioannis N. Tsimpanogiannis, Othonas A. Moultos, Luis F. M. Franco, Marcelle B. de M. Spera, Mate Erdos

    Fontes

    Molecular simulation

    Vol. 45, no. 4-5 (2019), p. 425-453