Laboratório de Fluidodinâmica Computacional MultiEscala
FORCE FIELD PARAMETERS
Br2: Bromine
2 Center Rigidσ = 3.2843 Å ε = 0.68641945523265 kcal/mol L (bond) = 3.218614 Å (0,98σ)Tc = 575 K Pc = 102.048 atmRef: Fluid Phase Equilib. 25 (1986) 251.
F2: Fluorine
2 Center Rigidσ = 2.8317 Å ε = 0.10625978611804256 kcal/mol L (bond) = 1.4300085 Å (0,505σ)Tc = 164.586816 K Pc = 85.15371 atmRef: Mol. Phys. 52 (1984) 485.