MieSWF1012 results: normal alkanes

[mostafa-razavi]

SimultaneousPSO_C2-C4-C12_N500_select9

ans-i-22_p-4_CH3-3.77709-130.71217-16_CH2-4.01029-69.40474-16

(Result location: chem20/home/chem20-mostafa/myProjects/GOMC/MBAR) Z_wt=0.8, U_wt=0.2

C2: CH3-3.777-130.7-16_CH2-4.010-69.4-16

C4: CH3-3.777-130.7-16_CH2-4.010-69.4-16

C12 CH3-3.777-130.7-16_CH2-4.010-69.4-16

Conclusions: 1) Both Z and U are good 2) Z of C12 is over estimated at most conditions especially on IT

[mostafa-razavi]

SimultaneousPSO_C2-C12_N500_select9

ans-i-14_p-4_CH3-3.76624-127.0-16_CH2-4.03-72.25361-16

(Result location: chem20/home/chem20-mostafa/myProjects/GOMC/MBAR) Z_wt=0.8, U_wt=0.2

C2:

C12:

Conclusions: 1) Very different result is obtained when C4 is excluded 2) U in both C2 and C12 is bad which might mean that epsilon is wrong

[mostafa-razavi]

MiPPE-SWF1012_C2-C3-C4-C8-C12_CH3-3.777-130.7-16_CH2-4.010-69.4-16

Conclusions:

1) rhoL's are good, Psat is good but slope is slightly off.

C2:

C3:

C4:

C8:

C12: