flopy.mt3d.mtrct module¶

class Mt3dRct(model, isothm=0, ireact=0, igetsc=1, rhob=None, prsity2=None, srconc=None, sp1=None, sp2=None, rc1=None, rc2=None, extension='rct', unitnumber=None, filenames=None, **kwargs)[source]¶

Bases: flopy.pakbase.Package

Chemical reaction package class.

Parameters:

model (model object) – The model object (of type flopy.mt3dms.mt.Mt3dms) to which this package will be added.
isothm (int) – isothm is a flag indicating which type of sorption (or dual-domain mass transfer) is simulated: isothm = 0, no sorption is simulated; isothm = 1, linear isotherm (equilibrium-controlled); isothm = 2, Freundlich isotherm (equilibrium-controlled); isothm = 3, Langmuir isotherm (equilibrium-controlled); isothm = 4, first-order kinetic sorption (nonequilibrium); isothm = 5, dual-domain mass transfer (without sorption); isothm = 6, dual-domain mass transfer (with sorption). (default is 0).
ireact (int) – ireact is a flag indicating which type of kinetic rate reaction is simulated: ireact = 0, no kinetic rate reaction is simulated; ireact = 1, first-order irreversible reaction, ireact = 100, zero-order reactions (decay or production). Note that this reaction package is not intended for modeling chemical reactions between species. An add-on reaction package developed specifically for that purpose may be used. (default is 0).
igetsc (int) – igetsc is an integer flag indicating whether the initial concentration for the nonequilibrium sorbed or immobile phase of all species should be read when nonequilibrium sorption (isothm = 4) or dual-domain mass transfer (isothm = 5 or 6) is simulated: igetsc = 0, the initial concentration for the sorbed or immobile phase is not read. By default, the sorbed phase is assumed to be in equilibrium with the dissolved phase (isothm = 4), and the immobile domain is assumed to have zero concentration (isothm = 5 or 6). igetsc > 0, the initial concentration for the sorbed phase or immobile liquid phase of all species will be read. (default is 1).
rhob (float or array of floats (nlay, nrow, ncol)) – rhob is the bulk density of the aquifer medium (unit, ML-3). rhob is used if isothm = 1, 2, 3, 4, or 6. If rhob is not user-specified and isothm is not 5 then rhob is set to 1.8e3. (default is None)
prsity2 (float or array of floats (nlay, nrow, ncol)) – prsity2 is the porosity of the immobile domain (the ratio of pore spaces filled with immobile fluids over the bulk volume of the aquifer medium) when the simulation is intended to represent a dual-domain system. prsity2 is used if isothm = 5 or 6. If prsity2 is not user- specified and isothm = 5 or 6 then prsity2 is set to 0.1. (default is None)
srconc (float or array of floats (nlay, nrow, ncol)) – srconc is the user-specified initial concentration for the sorbed phase of the first species if isothm = 4 (unit, MM-1). Note that for equilibrium-controlled sorption, the initial concentration for the sorbed phase cannot be specified. srconc is the user-specified initial concentration of the first species for the immobile liquid phase if isothm = 5 or 6 (unit, ML-3). If srconc is not user-specified and isothm = 4, 5, or 6 then srconc is set to 0. (default is None).
sp1 (float or array of floats (nlay, nrow, ncol)) – sp1 is the first sorption parameter for the first species. The use of sp1 depends on the type of sorption selected (the value of isothm). For linear sorption (isothm = 1) and nonequilibrium sorption (isothm = 4), sp1 is the distribution coefficient (Kd) (unit, L3M-1). For Freundlich sorption (isothm = 2), sp1 is the Freundlich equilibrium constant (Kf) (the unit depends on the Freundlich exponent a). For Langmuir sorption (isothm = 3), sp1 is the Langmuir equilibrium constant (Kl) (unit, L3M-1 ). For dual-domain mass transfer without sorption (isothm = 5), sp1 is not used, but still must be entered. For dual-domain mass transfer with sorption (isothm = 6), sp1 is also the distribution coefficient (Kd) (unit, L3M-1). If sp1 is not specified and isothm > 0 then sp1 is set to 0. (default is None).
sp2 (float or array of floats (nlay, nrow, ncol)) – sp2 is the second sorption or dual-domain model parameter for the first species. The use of sp2 depends on the type of sorption or dual-domain model selected. For linear sorption (isothm = 1), sp2 is read but not used. For Freundlich sorption (isothm = 2), sp2 is the Freundlich exponent a. For Langmuir sorption (isothm = 3), sp2 is the total concentration of the sorption sites available ( S ) (unit, MM-1). For nonequilibrium sorption (isothm = 4), sp2 is the first-order mass transfer rate between the dissolved and sorbed phases (unit, T-1). For dual-domain mass transfer (isothm = 5 or 6), sp2 is the first-order mass transfer rate between the two domains (unit, T-1). If sp2 is not specified and isothm > 0 then sp2 is set to 0. (default is None).
rc1 (float or array of floats (nlay, nrow, ncol)) – rc1 is the first-order reaction rate for the dissolved (liquid) phase for the first species (unit, T-1). rc1 is not used ireact = 0. If a dual-domain system is simulated, the reaction rates for the liquid phase in the mobile and immobile domains are assumed to be equal. If rc1 is not specified and ireact > 0 then rc1 is set to 0. (default is None).
rc2 (float or array of floats (nlay, nrow, ncol)) – rc2 is the first-order reaction rate for the sorbed phase for the first species (unit, T-1). rc2 is not used ireact = 0. If a dual-domain system is simulated, the reaction rates for the sorbed phase in the mobile and immobile domains are assumed to be equal. Generally, if the reaction is radioactive decay, rc2 should be set equal to rc1, while for biodegradation, rc2 may be different from rc1. Note that rc2 is read but not used, if no sorption is included in the simulation. If rc2 is not specified and ireact > 0 then rc2 is set to 0. (default is None).
extension (string) – Filename extension (default is ‘rct’)
unitnumber (int) –

File unit number. If file unit number is None then an unused unit

number if used. (default is None).

Other Parameters:

srconcn (float or array of floats (nlay, nrow, ncol)) – srconcn is the user-specified initial concentration for the sorbed phase of species n. If srconcn is not passed as a **kwarg and isothm = 4, 5, or 6 then srconc for species n is set to 0. See description of srconc for a more complete description of srconcn.
sp1n (float or array of floats (nlay, nrow, ncol)) – sp1n is the first sorption parameter for species n. If sp1n is not passed as a **kwarg and isothm > 0 then sp1 for species n is set to 0. See description of sp1 for a more complete description of sp1n.
sp2n (float or array of floats (nlay, nrow, ncol)) – sp2n is the second sorption or dual-domain model parameter for species n. If sp2n is not passed as a **kwarg and isothm > 0 then sp2 for species n is set to 0. See description of sp2 for a more complete description of sp2n.
rc1n (float or array of floats (nlay, nrow, ncol)) – rc1n is the first-order reaction rate for the dissolved (liquid) phase for species n. If rc1n is not passed as a **kwarg and ireact > 0 then rc1 for species n is set to 0. See description of rc1 for a more complete description of rc1n.
rc2n (float or array of floats (nlay, nrow, ncol)) – rc2n is the first-order reaction rate for the sorbed phase for species n. If rc2n is not passed as a **kwarg and ireact > 0 then rc2 for species n is set to 0. See description of rc2 for a more complete description of rc2n.

Notes

Examples

>>> import flopy
>>> mt = flopy.mt3dms.Mt3dms()
>>> rct = flopy.mt3dms.Mt3dRct(mt)

classmethod load(f, model, nlay=None, nrow=None, ncol=None, ncomp=None, ext_unit_dict=None)[source]¶

Load an existing package.

Parameters:	f (filename or file handle) – File to load. model (model object) – The model object (of type `flopy.mt3d.mt.Mt3dms`) to which this package will be added. nlay (int) – Number of model layers in the reaction package. If nlay is not specified, the number of layers in the passed model object is used. (default is None). nrow (int) – Number of model rows in the reaction package. If nrow is not specified, the number of rows in the passed model object is used. (default is None). ncol (int) – Number of model columns in the reaction package. If nlay is not specified, the number of columns in the passed model object is used. (default is None). ext_unit_dict (dictionary, optional) – If the arrays in the file are specified using EXTERNAL, or older style array control records, then f should be a file handle. In this case ext_unit_dict is required, which can be constructed using the function `flopy.utils.mfreadnam.parsenamefile`.
Returns:	rct – Mt3dRct object.
Return type:	Mt3dRct object

Examples

>>> import flopy
>>> mt = flopy.mt3d.Mt3dms()
>>> rct = flopy.mt3d.Mt3dRct.load('test.rct', mt)

write_file()[source]¶

Write the package file

Returns:
Return type:	None