hi

as much as ifound, the interfacial tension (IFT) in DPD is calculated based on pressure tensor differenc:

IFT=int(Pxx-1/2(Pzz+Pyy)dx     (1)

i calculated the IFT of water/decaneusing material studio 4.3 DPD. the results show that the conversion of obtained IFT to real word (51 mN/m) are in good agreement with experimental value (52mN/m)

the conversion of DPD IFT to physical real world is:

IFT (mN/m)=IFT_DPD* (kB.T/rc^2)   (2)

however the obtained virial pressure as like as pressure tensors are far from the physical values. the DPD obtained pressure is 55.65 (in DPD unit) which is about 489 Mpa in physical world

the conversion relation of pressure is:

P (Pa)=P_DPD*(kB.T/rc^3)    (3)

my question is that why the Pressure didant agreed with exp values while the IFT (which is obtained from pressure tensors) are in good agreement with exp values.

as much as i found in the literatures, nobody has disscussed the pressure while all of them used Eq. (1) for IFT calculation.

I want to know if the PVT are not important in IFT calculation, why we used Eq. (1). or

is the obove procedure correct? the conversion relations are correct?