LINK TO THE ORIGINAL PAGE CACHED IMAGE 22/11/2007 SAFE FOOD PACKAGING PORTAL

      GETTING STARTED         INPUTS         FORM        3D»1D MODELER       DESORPTION FV MONOLAYER         DESORPTION FV MULTILAYER  

QSPR-MS WEB-SERVER
BETA VERSION, TO BE RELEASED VERY SOON (no extra-help at this time)

MULTILAYER MATERIALS
1D PERMEATION SIMULATION
1D SORPTION/DESORPTION SIMULATION
1D DIFFUSION SIMULATION
FAST FINITE VOLUME FORMULATION (v. 1.01)
INPUTS
NAME DESCRIPTION AND ADVICES
_FA or _FB compartments left and right respectively (their behaviors are symmetric)
_Pi layer i=1..n of plastics or polymer.
Layer _P1 and _Pn are in contact with _FA and _FB respectively
_FPrespectively to the whole P
Mmigrant/diffusant/permeant
0initial
C concentrations (units can be arbitrary)
Concentrations can be by volume (all ρ=1) or by mass (in this case you need to assign correct ρ values)
>>output concentrations have the same units as inputs
Bi mass Biot number (respectively to the layer with the highest resistance) = h·lref/Dref
>>use Bi=0 to set an impervious boundary condition
D diffusion coefficients
k =1/S Henry coefficients (units can be arbitrary)
Definition: p=k·C   >>units of p and C must be chosen accordingly
L dilution coefficients (ratios of volumes or lengths)
>>use very large (e.g. 1e8) L values =0 to set a Dirichlet boundary condition (i.e. constant concentration/pressure)
p  partial pressure (units can be arbitrary)
Definition: p=k·C   >>units of p and C must be chosen accordingly
ρ  relative densites (units can be arbitrary, must be set to 1 when you use volume concentrations)
S =1/k solubilities (units can be arbitrary)
>>true units are only required when you need a true scale of pressure
PARAMETER FORM
TIPS layer order: _FA «_P1 _P2_ ... Pn_» _FB assign indifferently a role to _FA _FB
static form TIPS To remove a layer: assign its length to 0 To set an impervious boundary: assign Bi to 0
parameter unit/scale _FA _FB _P1
l - -
L_FP m³·m-³ -
ρ kg·m-³
g·cm-³
k or S
D - -
Bi none -
C0 or p0
t   -

<< Choose here the accuracy of the solution
("normal" is always recommended as a first guess)

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2007 by INRA\Olivier Vitrac