Hi Everyone,<br>
I tried to calculate diffusion coefficient( from velocity auto
correlation function) as a function of electric field on a simple water
system (216nm^3 volume), consisting of around 6500 water molecules.<br>
The diffusion coefficient seems to increase with electric field, though
the increase is 10% for 1V/nm compared with no E-field case.<br>
Am I doing anything wrong, or what is the predicted shape of Diffusion coefficient Vs Electric field for SPC water model.<br>
Thanks,<br>
Vissu<br clear="all"><br>-- <br>Viswanadham Sridhara,<br>Graduate Research Assistant,<br>Old Dominion University, "VIRGINIA".<br>