The initial starting configuration contained a 50.29 × 43.55 × 54.92 Å3 hematite surface, generated using ASE, placed between two liquid regions, containing a total of 440 PAO4 molecules. To check for possible finite size effects, the length of the PAO4 and hematite regions were varied in the direction parallel to the heat flux and R k was computed. The results showed no size dependency and it was therefore assumed that the system described above was sufficiently large enough to calculate the "bulk" ITR.