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Diapositiva 1
METODOLOGIA DPD
FORMULACION
PARAMETRIZACION
GRANEADO-MAPEO
Hay que escoger un tamao conveniente del eslabn (bead)
Rc = ( Nm VH20)1/3 0.1338/0.0299
Docecyl pyridium chloride-DPC La molcula del DPC es representada como HT2 La molcula de agua es representada con un solo bead W.
ij = Vbed (i j)2 /kT
aij = (ij /0.286) + 25
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