Why do the strange behaviour exist at the interface of tetrahydrofuran/2-propanol mixture?

09 September 2016 1 5K Report

I have modeled the surface tension of tetrahydrofuran (THF)/2-propanol mixture at T=288.15 K (xTHF=0.55) by using gradient theory. I take tetrahydrofuran (THF) as a reference fluid. The density profile is OK for 2-propanol (see the attached file). It absorbs at the interface and its density profile has a peak. It is true because the pure 2-propanol has a lower surface tension than the pure THF. For THF, it is expected that it has a monotonic shape, but it has not this shape. What is the reason? (see the attached file, x axis is distance and y axis is density) I have checked my program and it has no problem.

Shahin Khosharay

x axis is distance and y axis is density

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