Hi to everybody! I wanted to ask to you your opinion... I've computed the diffusion coefficient of a aqueous solution solution of Cd(2+) both with g_msd and g_velacc. I'have obtained a diff coeff of about 0.64 10^-5 cm^2/s and 0.71 10^-5 cm^2/s for two different water models (respectively SPC/E and TIP5P). I wanted to compare my results with experimental values. In the CRC handbook of chemistry and physics (pag 939) is reported for Cd^2+ a diffusion coefficient of 0.719 10^-5 cm^2/s but there is written: 1/2 Cd^2+. I think it means that the value of D is per unit of charge and so that this value has to be multiplied by 2 but in other references I've found values of D similar to that one reported in the Handbook also for different ions without the specification 1/2. So I think that maybe there's an error in the handbook and the diffusion coefficients are not per unit of charge. What do tou think????
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