$$$$ TRANSGEN NOTICE CHAT 11/09/12 21:18:24 7124 DATE 11/09/12 Operateur TRANSGEN Voir aussi : DARCYTRA, TRANGEOL ------------------ TRANSGEN TABLE ; COMES from procedure DARCYTRA ! Same use but with a few exceptions : 1 - New extra facilities - numerical : choice VF EFMH, numerical diffusion, mass lumping, solver KRES accessible - physical : calculated dispersivity, new border conditions (mixtes, total flux) 2 - modified syntaxe for the 'POROSITE' and 'CARACTERISTIQUES', 'FLUXDIFF' 'FLUXCONV' instead of 'FLUX', 'CONVECTION' modified and 'VITELEM' is add 3 - No more stories of componant names 'H' 'TH' for the concentration and its trace because unrelevant in VF and relatively uncompatible with multispecies calculations. The concentration composant's name is to be chosen freely (ex 'I129') but the related variables (limit condit saturated concentration ...) must have the same componant's name. See more detailed explanations below. Briefly, data sets for 'DARCYTRA' work with TRANSGEN if the 'TH' are changed to 'H' plus modifications -1- and -2-, see test cases transport*.d etc .. Function -------- Resolution of the transport equation of Radio nucleides in porous media, with MHFE or VF methods. Unknows of the probleme are - EFMH, the concentration, the trace of concentration and the diffusif flux, simplified in a resolution on the traces. Other variables are deduced from it. - VF, the concentration TRANSGEN deals with the time step, retard, diffusion, dispersion, convection source, precipitation dissolution, radioactive decay, limit conditions (Dirichlet, Neumann, Mixt, total flux) numerical : direct and iterative solvers, numerical diffusion, VF and MHFE, implicite and explicite krank-Nicholson, mass lumping Remarques -------- TRANSGEN remplaces DARCYTRA for the transport, DARCYTRA remains for the reso of the DARCY equation. The people who wants to use VF to solve the DARCY equation can also use TRANSGEN by setting the porosity to 0 (suppress the time discretization) the convection to zero. ---------------------------------- Table Fields (in the TABLE) : ---------------------------------- ___________________________________________________________________ | | | Indice Contenu | | | ------------------------------------------------------------------- | | |------------------------------------------------ | |Donnees physiques, geometriques et materielles : | |------------------------------------------------ | | | |'MODELE' modele (MMODEL cree par MODE) DARCY | | | |'CARACTERISTIQUES' : | | effective diffusivity - CHAMPOINT - COMPONANTS | | K11 K21 K22 K31 K32 K33 at the center of elements | | | |'POROSITE' Porosity value (Champoint, Comp | | 'SCAL', or FLOTTANT) . | | | |'DECROISSANCE' Decay value (Type FLOTTANT) | | dC/dt = - Lambda * C - Default 0. | | | |'COEF_RETARD' Retardation factor in the linear simple case | | or Slope at origin of the Langmuir non linear | | isotherm | | or K Coefficient of the Freundlich non linear | | isotherm (see below) | | (Type CHPO Centre 'SCAL', or FLOTTANT) | | | |'LANGMUIR' Maximal quantity of adsrbed material expressed as | | a function of fluid volume in the same unit as the | | solute. (Type CHPO Centre 'SCAL', or FLOTTANT). | | F = (R-1) C / [1 + ((R-1) C / Fsat)] | | If this index and the following one are absent, | | then the adsorption equilibrium is linear. This | | index has priority on the FREUNDLICH index. | | | |'FREUNDLICH' Exponent of the Freundlich law : F = K (C ^ 1/n) | | (Type FLOTTANT). | | In this case (and if the LANGMUIR index is absent) | | the RETARD index yields the K coefficient | | expressed by fluid volume unit. | | - Non effective yet - | | | |'LIMITE_SOLUBILITE' Solubility limit (Type chpoint), componant | | identical to the concentration's one | | No precipitation dissolution if not present | | | |'COEF_DISSOLUTION' Dissolution coef. (Type CHPO Centre, Comp | | 'SCAL'). Such as dC/dt = Coef * (Csat - C) | | No dissolution precipitation if not present | | | |'CONVECTION' velocity at the faces of the mesh. It is the | | convective flux multiplied by the normal vector on | | that face (DOMA modele NORMALE) and divided by | | the length of the face (doma modele SURFACE). | | | | It is actually the projection of the velocity flied| | on the direction perpendicular to the face. | | (Type CHPO Face, comp. | | VX VY VZ). The interest lies in the fact that | | the velocity is independant of the orientation | | of the normal to the faces which was not the case | | for the fluxes. | | | |'VITELEM' Velocity at the center of the elements (Type CHPO | | centre, comp. VX VY VZ). Used uniquely if | | DECENTREMENT is true or some dispersion is given | | via the ALPHAL and ALPHAT entries | | | |'ALPHAL' longitudinal dispersivity coef (CHPO | | comp. SCAL) - 0 if not there | | | |'ALPHAT' transverse dispersivity coef (CHPO | | comp. SCAL) - 0 if not there | | Rque : if ALPHAL or ALPHAT is present, both have to| | be present . | | | | | | |-------------------- | |Initial Conditions : | |-------------------- | | | | | |'TEMPS' TABLE containing the initial time at the 0 index | | (FLOTTANT) | | | |'CONCENTRATION' TABLE contenaing at index 0 the concentration | | (quantity of element per unit of water volume) | | (Type CHPO Centre, Comp free 4 characters max) | | | | | |'PRECIPITE' TABLE containing at index 0 the initial quantity | | of precipitate per unit volume of solid media | | (Type CHPO Centre, Comp identical to concentration)| | | |'FLUXDIFF' TABLE containing at index 0 the diffusif flux | | integrated on each face | | (Type CHPO Face, Comp of the concentration) | | | |'FLUXCONV' TABLE containing at index 0 the convective flux | | integrated on each face | | (Type CHPO Face, Comp of the concentration) | | | |'DISSOLUTION' TABLE containing at index 0 the initial quantitiy | | to estimate the dissolution at the first time step | | (Type CHPO, Comp id. to concentration). | | | -------------------------------------- | |Conditions aux limites / chargements : + | |-------------------------------------- | | | |'TRACE_IMPOSE' Concentration's trace imposed values. | | (Type CHARGEMENT of CHPO Face, Comp concentration) | | | |'FLUX_IMPOSE' Imposed surface-integrated flux's values | | (Type CHARGEMENT of CHPO Face, Comp concentration -| | default 0.) | | | |'FLUXTOT_IMP' Imposed surface integrated total flux' value | | (Type CHARGEMENT de CHPO Face, comp. | | concentration ) | | | |'MIXTES' Table : - index C contains values of the mixed flux| | surface integrated | | (Type CHARGEMENT de CHPO Face, | | comp. idem concentration default 0.)| | - indices A and B are reals | | | | mixed conditions is writen : | | C = A * diffusif flux + B * Concentration | | | |'SOURCE' Source term per cell and per time unit (ex : | | filiation). Values at index i are between times i-1| | and i. (Type CHARGEMENT of CHPO Center, Comp concen| | tration - default 0.) | | | | | |'DISSOLUTION_IMPOSEE' Imposed dissolutions per time unit and per | | cell (Type CHARGEMENT Comp concentration). | | The values at index i are the average dissolution | | means between times i-1 and i. | | Priority is given to imposed dissolution in | | comparison to cinetics. | | | | | |-------------------- | |Donnees numeriques : | |-------------------- | | | |'TEMPS_CALCULES' Calculated time values (LISTREEL) | | Contains final time. | | | |'TEMPS_SAUVES' Recorded solution time values (LISTREEL - default:| | all calculated times are recorded) | | | |'THETA_DIFF' Relaxation coefficient for the diffusive fluxes. | | Value between 0. and 1. (theta-method) | | (FLOTTANT - default 1.) | | Unstability can appear if theta<1/2. Here is the | | list of current theta's scheme : | | Euler's explicit scheme : 0. | | Crank-Nicholson's scheme : 1/2 | | Galerkin's scheme : 2/3 | | Euler's implicit scheme : 1. | | | |'THETA_CONVECTION' Relaxation coefficient for the advective | | fluxes. Value between 0. and 1. (theta-method) | | (FLOTTANT - default THETA_DIFF) | | | |'THETA_DEC' Idem, but for decay | | (FLOTTANT - defaut 1/2) | | | |'THETA_DISS' Idem, but for dissolution | | (FLOTTANT - defaut 1.) | | | | 'LUMP' FAUX if no mass lumping, VRAI otherwise. | | VRAI only with rectangular mesh and | | hexaedre with 90 defres angles. | | Diffusion-dispersion tensor | | must be diagonal. Unsteady Diffusion discretization| | become monotone without conditions on the Fourier | | Applies only to EFMH. | | | | 'DECENTR' VRAI if numerical diffusion to achieve Peclet = 2 | | allows stabilisation of the convection scheme | | when time discretization is explicite. | | Helps better respect of the monotonicity. But more | | accurate if set to FAUX since numer. diff is lower | | | | 'TYPDISCRETISATION' 'VF' if VF and 'EFMH' if EFMH | | | | 'METHINV' TABLE OF PARAMETRES of the solver KRES, cf 'KRES' | | can be partially filled | | 2 important indices : | | 'TYPINV' Compulsary 1 for direct 3 for BiCGSTAB | | 'PRECOND' compulsary 3 for ILU0, 5 for ILUT | | advice TYPINV = 1 in 2D or small calc., 3 otherwise| | advice PRECOND = 3, of no convergence = 5 | | | |'EPSI_RET' Criterion for the exit value of the iterative | | predictor-corrector scheme for nonlinear | | retardation. (Type FLOTTANT) - Defaut 1.D-4 | | | |'EPSI_COR' Small concentration interval to calculate the | | nonlinear retardation factor by the secant method. | | (Type FLOTTANT) - Defaut 1.D-4 | | | |'ITMAX_RET' Maximum number of iterations for the nonlinear | | retardation scheme before giving up. | | (Type 'ENTIER') - Defaut 20 | |_________________________________________________________________| --------------------------------- Results (stored in TABLE) : --------------------------------- ___________________________________________________________________ | | | Index Contenu | | | ------------------------------------------------------------------- | | | | |'TEMPS' TABLE containing the recorded times (FLOTTANT) | | | |'CONCENTRATION' TABLE contanaing the concentrations | | (Type CHPO Centre, Comp of initial conc.) | | | |'FLUXDIFF' TABLE containing the integrated diffusive flux | | on the surface (Type CHPO Face, name of concentr) | | | |'FLUXCONV' TABLE containing the integrated convective flux | | on the surface (Type CHPO Face, name of concentr) | | | |'PRECIPITE' TABLE containing the quantity of precipitate | | (Type CHPO Centre, Comp of concentration) | | | |'RETARD' When this index has prealably been defined as a | | TABLE, contains the recorded values of the | | retardation factor. In the other case, the values | | are not stored.(Type 'CHPO' center, Comp 'SCAL'). | |_________________________________________________________________| | | | Results tables are indexed by integers varying from 0 to N | | At index 0 are stored the initial values, and following index | | yield the corresponding values at stored times TEMPS.I . | | The fields used to resume calculation are those stored at last | | index. | |_________________________________________________________________|
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