$$$$ DARCYTRA NOTICE CHAT 11/09/12 21:15:43 7124 DATE 11/09/12 Procedure DARCYTRA Voir aussi : PECHE ------------------ DARCYSAT DARCYTRA TAB1 ; TAB1.'SOUSTYPE'.'MODELE'.'DOMAINE'. 'CARACTERISTIQUES'.'EMMAGASINEMENT'.'CONVECTION'. 'TEMPS'.'TRACE_CHARGE'.'CHARGE'.'FLUX'. 'BLOCAGE'.'TRACE_IMPOSE'.'FLUX_IMPOSE'.'SOURCE'. 'TEMPS_CALCULES'.'TEMPS_SAUVES'. 'THETA'.'THETA_CONVECTION' ou TAB1.'SOUSTYPE'.'MODELE'.'DOMAINE'.'ORIENTATION'. 'CARACTERISTIQUES'.'POROSITE'.'DECROISSANCE'. 'COEF_RETARD'.'LANGMUIR'.'FREUNDLICH'. 'LIMITE_SOLUBILITE'.'COEF_DISSOLUTION'. 'CONVECTION'.'TEMPS'.'TRACE_CONC'.'CONCENTRATION'. 'FLUX'.'PRECIPITE'.'DISSOLUTION'. 'BLOCAGE'.'TRACE_IMPOSE'.'FLUX_IMPOSE'. 'DISSOLUTION_IMPOSEE'.'SOURCE'.'TEMPS_CALCULES'. 'TEMPS_SAUVES'.'THETA_DIFF'.'THETA_CONVECTION'. 'THETA_DEC'.'THETA_DISS'.'PENALISATION'. 'EPSI_LIM'.'ITMAX_LIM'.'EPSI_RET'.'EPSI_COR'. 'ITMAX_RET' Description : _____________ This procedure has two functions : 1) If 'CHARGE' index exists, to solve Darcy equations in unsteady state. The Darcy formulation is resolved by a mixed finite element method in space (EFMH), finite differences in time. 2) If 'CHARGE' index does not exist, to solve transport equation (by diffusion-convection) of a scalar reactive field by a fluid whose velocity is known. The specy is considered under three possible states : solute, adsorbed or precipitate. The exchange laws must be specified by the user, along with the numerical choices and parameters. The Darcy formulation by EFMH is still used. Unknown field are head ('H'), head's trace ('TH') and diffusif flux across each face ('FLUX'). Comments : __________ On input, TAB1 is used to define the options and the calculation parameters. The index of the table TAB1 are words (written in words). Here is their list : ___________________________________________________________________ | | | Index Contenu | | | ------------------------------------------------------------------- | | |---------------------------------------- | |Physical, geometrical and material data : | |---------------------------------------- | | | | ------ Index common to both resolutions ------ | | ------------------------------------------------------ | | | |'SOUSTYPE' 'DARCY_TRANSITOIRE' (type MOT) | | | |'MODELE' Modeled structure for the DARCY formulation | | (MMODEL create by MODE) | | | |'DOMAINE' Geometric references (TABLE created by DOMA) | | | | ------ Index relative to flow resolution only ------ | | ------------------------------------------------------ | | | |'EMMAGASINEMENT' Specific storativity (MCHAML - Default 1) | | Storativity average for each element. | | | | ------ Index relative to transport resolution only ------ | | ----------------------------------------------------------- | | | |'CARACTERISTIQUES' Structure physical caracteristics : | | hydraulic conductivity (MCHAML create by MATE) | | | |'POROSITE' Porosity value (Type CHPO Centre, Comp 'CK', | | ou FLOTTANT) - default 1. | | | |'DECROISSANCE' Decay coefficient such that dC/dt = - Lambda * C | | (Type 'FLOTTANT' - 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 MCHAML, Comp 'H') | | | |'COEF_DISSOLUTION' Dissolution coefficient, such that | | dC/dt = Coef * (Csat - C) | | Default : instantaneous dissolution | | (Type CHPO Centre, Comp 'SCAL'). | | | |'CONVECTION' Hydraulic flux accross, and integrated over, | | element's faces (Type CHPO Face, Comp. 'FLUX') | | | |-------------------- | |Initial Conditions : | |-------------------- | | | | ------ Index common to both resolutions ------ | | ------------------------------------------------------ | | | |'TEMPS' TABLE containing the initial time at the 0 index | | (FLOTTANT) | | | | ------ Index relative to flow resolution only ------ | | ------------------------------------------------------ | | | |'TRACE_CHARGE' TABLE containing initial head's trace at the | | 0 index (Type 'CHPO' Face, Comp 'TH') | | | |'CHARGE' TABLE containing initial head at the 0 index | | (Type 'CHPO' Center, Comp 'H') | | | |'FLUX' TABLE containing initial integrated diffusive flux | | at the 0 index (Type 'CHPO' Face, Comp 'FLUX') | | | | ------ Index relative to transport resolution only ------ | | ----------------------------------------------------------- | | | |'TRACE_CONC' TABLE containing the initial concentration's trace | | at the 0 index (Type 'CHPO' Face, Comp 'TH') | | | |'CONCENTRATION' TABLE containing the initial concentration at the| | 0 index (Type 'CHPO' Center, Comp 'H') | | | |'FLUX' TABLE containing the initial integrated hydraulic | | flux at the 0 index (Type 'CHPO' Face, Comp 'FLUX')| | | |'PRECIPITE' TABLE containing the initial precipitate per medium| | volum unit at the 0 index | | (Type 'CHPO' Center, Comp 'H') | | | |'DISSOLUTION' TABLE containing the initial precipitate | | dissolution ; see below | | (Type 'CHPO' Center, Comp 'H') | | | |----------------------------------- | |Boundary conditions / chargements : | |----------------------------------- | | | | ------ Index common to both resolutions ------ | | ------------------------------------------------------ | | | |'BLOCAGE' Contains the RIGIDITE stiffness associated with | | conditions of concentration's trace values imposed.| | (Optional index) | | | |'TRACE_IMPOSE' Concentration's trace imposed values. | | (Type CHARGEMENT of CHPO Face, Comp 'TH' - Binding | | if BLOCAGE index exist) | | | |'FLUX_IMPOSE' Imposed surface-integrated flux's values | | (Type CHARGEMENT of CHPO Face, Comp 'FLUX' - | | default 0.) | | | |'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 'SOUR'| | - default 0.) | | | | ------ Index relative to transport resolution only ------ | | ----------------------------------------------------------- | | | |'DISSOLUTION_IMPOSEE' Imposed dissolutions per time unit and per | | cell (Type CHARGEMENT Comp 'H'). | | 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. | | | |---------------- | |Numerical data : | |---------------- | | | | ------ Index common to both resolutions ------ | | ------------------------------------------------------ | | | |'TEMPS_CALCULES' Calculated time values (LISTREEL) | | Contains final time. | | | |'TEMPS_SAUVES' Recorded solution time values (LISTREEL - default:| | all calculated times are recorded) | | | | ------ Index relative to flow resolution only ------ | | ------------------------------------------------------ | | | |'THETA' 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. | | | | ------ Index relative to transport resolution only ------ | | ----------------------------------------------------------- | | | |'THETA_DIFF' Relaxation coefficient for the diffusive fluxes. | | Value between 0. and 1. (theta-method) | | (FLOTTANT - default 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.) | | | |'PENALISATION' Penalisation coefficient for the taking into | | account of solubility limit | | with instantaneous equlibrium. The presence of this| | index indicates that this algorithm has been | | chosen instead of the following one | | (Type 'FLOTTANT') - Advised value 1.D7 | | | |'EPSI_LIM' Criterion for the exit value of the iterative | | predictor-corrector scheme for solubility limit | | with instantaneous equlibrium. The presence of this| | index indicates that this algorithm has been | | chosen instead of the preceding one. | | (Type 'FLOTTANT') - Advised value 5.D-3 | | | |'ITMAX_LIM' Maximum number of iterations for the dissolution | | schemes before giving up. | | (Type 'ENTIER') - Defaut 50 | | | |'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 | |_________________________________________________________________| On output, TAB1 enables the user to find again the results which are stored in tables whose index are intergers (0 1 2 .... N) corresponding to the number of the results saving. 0 define the initial time. ___________________________________________________________________ | | | Index Contenu | | | ------------------------------------------------------------------- | | | ------ Index common to both resolutions ------ | | ------------------------------------------------------ | | | |'TEMPS' TABLE containing the recorded times (FLOTTANT) | | | | ------ Index relative to flow resolution only ------ | | ------------------------------------------------------ | | | |'TRACE_CHARGE' TABLE containing recorded head's trace | | (Type 'CHPO' Face, Comp 'TH') | | | |'CHARGE' TABLE containing recorded head | | (Type 'CHPO' Center, Comp 'H') | | | |'FLUX' TABLE containing the recorded surface-integrated | | hydraulic fluxes (Type 'CHPO' Face, Comp 'FLUX') | | | | ------ Index relative to transport resolution only ------ | | ----------------------------------------------------------- | | | |'TRACE_CONC' TABLE containing the recorded concentration's | | traces (Type 'CHPO' Face, Comp 'TH') | | | |'CONCENTRATION' TABLE containing the recorded concentrations | | (Type 'CHPO' Center, Comp 'H') | | | |'FLUX' TABLE containing the recorded surface-integrated | | diffusive fluxes (Type 'CHPO' Face, Comp 'FLUX') | | | |'PRECIPITE' TABLE containing the recorded precipitates | | (Type 'CHPO' Center, Comp 'H') | | | |'DISSOLUTION' TABLE containing the recorded dissolved quantities | | of precipitate between two time steps per medium | | volume unit and per time unit. The stored value | | at index i est valid between times i-1 and i | | CAUTION, These valeurs have no meaning when | | interpolated ; that means, when the recorded times | | are different from the calculated times. Any use of| | these values would then produce a non nul mass | | check (Type 'CHPO' Center, Comp 'H') | | | |'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. | |_________________________________________________________________| Example : in order to list the CHPOINT of concentration calculated for the value of the evolution parameter 2.5, the following will have to be coded : LIST ( PECHE TAB1 'CHARGE' 2.5 ) ; or if we know that the index i of the saved time table TEMPS contains 2.5, we can code : LIST ( TAB1 . 'CHARGE' . i ) ; Remarks : _________ Since the results are located in TAB1, no named objects are created by this procedure. Once you have left DARCYTRA you may re-enter it by defining new values for TEMPS_CALCULES and TEMPS_SAUVES and by calling once again DARCYTRA with the same operands as the first call. Fluxes are diffusif fluxes. Convective fluxes are post-processed : it's the product between convective velocity fluxes (stocked at the CONVECTION index) and the concentration's trace (stored at the TRACE_CHARGE index).
© Cast3M 2003 - All rights reserved.
Disclaimer