/*---------------------------------------------------------------------------*\
Constant property directory. Update as needed.
\*---------------------------------------------------------------------------*/

FoamFile {
  version     2.0;
  format      ascii;
  class       dictionary;
  location    "constant/porousMat/materialProperties";
  object      constantProperties;
}
// * * * * * *  Units * * * * * [kg m s K mol A cd] * * * * * * * * * * * * * //
// e.g. W: kg m^2 s^{-3} 	[1 2 -3 0 0 0 0]

/****		Universal constants						****/
R               R		[1 2 -2 -1 -1 0 0]	8.314471469;
sigmaPlanck     sigmaPlanck	[1 0 -3 -1 0 0 0]	5.6697e-8;

/*** 		MATERIAL PROPERTIES						***/
/***            Initial densities and volume fractions				***/
nSolidPhases	2;						// number of phases (index starts at 1)
rhoI[1]		rhoI[1]		[1 -3 0 0 0 0 0]	1600;	// intrinsic density of the fibers
epsI[1]		epsI[1]		[0 0 0 0 0 0 0]		0.1;	// volume fraction of the fibrous preform
rhoI[2]		rhoI[2]		[1 -3 0 0 0 0 0]	1200;	// initial intrinsic density of the virgin matrix
epsI[2]		epsI[2]		[0 0 0 0 0 0 0]		0.1;	// volume fraction of the virgin matrix

/***		Geometrical properties (for volAblation)		***/
rf0		rf0		[0 1 0 0 0 0 0]		5e-6;	// initial fiber radius
rff		rff		[0 1 0 0 0 0 0]		1e-6;	// final fiber radius (only minerals left)
rfFail		rfFail		[0 1 0 0 0 0 0]		1e-6;	// failure fiber radius (erosion model)
fiberPhase	1;						// identify phase index to treat as fiber
matrixPhase	2;						// identify phase index to treat as matrix surrounding the fibers

/***		Averaged momentum-conservation related data (Darcy's law)	***/
K_v		K_v		[0 2 0 0 0 0 0]		(1.6e-11 0 0 0 1.6e-11 0 0 0 1.6e-11); // virgin material permeability (second order tensor)
K_c		K_c		[0 2 0 0 0 0 0]		(2e-11 0 0 0 2e-11 0 0 0 2e-11);       // char permeability (second order tensor)
eps_g_v		eps_g_v		[0 0 0 0 0 0 0]		0.8;	// virgin material porosity
eps_g_c		eps_g_c		[0 0 0 0 0 0 0]		0.85;	// char porosity

/***		Convective heat exchange between solid and gas phases for 2 T model	***/
Hv0		Hv0		[1 -1 -3 -1 0 0 0]		3e5;	// heat transfer coefficient

/***		Mass transfer in porous media						***/
eta0		eta0		[0 0 0 0 0 0 0]		1.1;	// tortuosity

/***		Anisotropic conductivity parameters: main directions and linear factors		***/
//   		kxyz = tP & kijk' & P
//   		where, kijk'		= 	(ki' 0  0
//						 0  kj' 0
//	 			 		 0  0  kk') (in direct orthonormal basis, i, j, k)
//
// 1- Express the main directions (ijk) of the diagonal conductivity matrix in the basis of the mesh (xyz)
//	     	The transposed conductivity passage matrix (tP) expresses (i,j,k) coordinates in the basis (x,y,z)
//		where (i,j,k) is a direct orthonormal basis of the diagonal conductivity matrix
//		and (x,y,z) is the direct orthonormal basis of the mesh (in case of doubt, mesh directions can be seen in paraview)
//							(i j k)			ex. rotation a (in radians) around axis z
tP		tP 		[0 0 0 0 0 0 0] 	(1 0 0 	 // x		(cosa -sina 0
                               0 1 0 	 // y		 sina  cosa 0
                               0 0 1); // z		 0     	 0  1)
// 2 - Linear factors
kiCoef		kiCoef 		[0 0 0 0 0 0 0] 	1;	 // to multiply column ki of the input files 'char' and 'virgin' by a linear factor: ki' = kiCoef*ki
kjCoef		kjCoef 		[0 0 0 0 0 0 0] 	1;	 // idem for kj
kkCoef		kkCoef 		[0 0 0 0 0 0 0] 	1;	 // idem for kk

/***		Diffusion coefficient in binary diffusion mode - set it to 0 for no diffusion	  ***/
D0		D0		[0 2 -1 0 0 0 0]	1e-4;

/***		Initial elemental composition of the gas phase inside the material and for B' balance (mole fractions) ***/
//		Usual practice is:
//		1- if 'elementConservation' is turned off, input the pyrolysis gas composition
//		2- if 'elementConservation' is turned on, input the same initial compostion as boundary layer edge
//		3- in 'finite-rate' mode:
//			 (3.1) we need to input species (not elements)
//			-> the initial concentrations need to be updated in the directory 0 - update O2, N2, and add species as needed
//			 (3.2) the values entered below are used for B' only.
//		Note: the list of elements comes from the mixture files that you have chosen
//		in thermophysicalProperties 'mixtureMutationBprime' and  'mixtureMutationEquilibrium'
//		Only the elements present in the mixture file are read here. Values not provided here default to 0.
//		All zero will make the code crash because it's not set up to run without gas.

// TACOT average
Zx[C] 		0.206;
Zx[H] 		0.679;
Zx[O]		0.115;
Zx[N]		0.0;

//Air
/*Zx[C] 		0.0;
Zx[H] 		0.0;
Zx[O]		0.21;
Zx[N]		0.79;*/

/***		Pyrolysis model 	***/
// Please see description of the pyrolysis model implemented in PATO in Lachaud2015
// (in directory documentation/references), pages 5,6. It is fully compatible with CMA,
// and CMA-derived models, but allows for more flexibility and options if needed.
// NB: zeta and gamma are expressed in mass fractions.
// Only the elements present in the mixture file are read here. Values not provided here default to 0.
// - zeta is used in equilibrium mode only, and when 'elementConservation' is selected.
//   If 'elementConservation' is not selected zeta[i][j] defaults to the initial elemental composition selected above.
// - gamma is used in finite-rate chemistry mode only
// NB:	- the stoechiometric factors (gamma) of the species present in the finite-rate chemistry mechanism are looked-up,
//		they default to gamma = 0 if the values are not found here.
//	- use correct notations/spelling or species won't be found (eg. A1 might be used instead of C6H6, check in chemistry file).

// Model below is for TACOT_v3.0 'ABLATION TEST-CASE SERIES'
// Pyrolysis of phase 1 (fibers)
nPyroReac[1] 	0; // number of pyrolysis reactions for phase[1]

// Pyrolysis of phase 2 (matrix)
nPyroReac[2]	4; // number of pyrolysis reactions for phase[2]

speciesPyrolysis yes; // if 'speciesPyrolysis' is yes, take gamma as stochiometric coefficients in pyrolysis production rate computation
// else take zeta

// 		Phase 2 - Pyrolysis reaction 1
F[2][4]     F[2][4]     [0 0 0 0 0 0 0]     0.0230954;
A[2][4]     A[2][4]     [0 0 -1 0 0 0 0]    1176.86;
E[2][4]     E[2][4]     [1 2 -2 0 -1 0 0]   99667.2;
m[2][4]     m[2][4]     [0 0 0 0 0 0 0]     99.517;
n[2][4]		n[2][4]		[0 0 0 0 0 0 0]		0;
T[2][4]		T[2][4]		[0 0 0 1 0 0 0]		200;
h[2][4]		h[2][4]		[0 2 -2 0 0 0 0]	-4e6;

zeta[2][4][C]		0.494996;
zeta[2][4][H]		0.136912;
zeta[2][4][O]		0.368092;

gamma[2][4][H2]	1;

// 		Phase 2 - Pyrolysis reaction 2
F[2][1]     F[2][1]     [0 0 0 0 0 0 0]     0.107973;
A[2][1]     A[2][1]     [0 0 -1 0 0 0 0]    4.46264e+07;
E[2][1]     E[2][1]     [1 2 -2 0 -1 0 0]   960123;
m[2][1]     m[2][1]     [0 0 0 0 0 0 0]     52.0733;
n[2][1]		n[2][1]		[0 0 0 0 0 0 0]		0;
T[2][1]		T[2][1]		[0 0 0 1 0 0 0]		200;
h[2][1]		h[2][1]		[0 2 -2 0 0 0 0]	-4e6;

zeta[2][1][C]		0.494996;
zeta[2][1][H]		0.136912;
zeta[2][1][O]		0.368092;

gamma[2][1][CH4]	1;

// 		Phase 2 - Pyrolysis reaction 3
F[2][2]     F[2][2]     [0 0 0 0 0 0 0]    0.353583;
A[2][2]     A[2][2]     [0 0 -1 0 0 0 0]   5.07082e+07;
E[2][2]     E[2][2]     [1 2 -2 0 -1 0 0]  909097;
m[2][2]     m[2][2]     [0 0 0 0 0 0 0]    95.7911;
n[2][2]		n[2][2]		[0 0 0 0 0 0 0]		0;
T[2][2]		T[2][2]		[0 0 0 1 0 0 0]		200;
h[2][2]		h[2][2]		[0 2 -2 0 0 0 0]	-4e6;

zeta[2][2][C]		0.494996;  // zeta[solidPhase][pyroReac][species]
zeta[2][2][H]		0.136912;
zeta[2][2][O]		0.368092;

gamma[2][2][CO]	1;

// 		Phase 2 - Pyrolysis reaction 4
F[2][3]		F[2][3]		[0 0 0 0 0 0 0]		0.0890057;
A[2][3]		A[2][3]		[0 0 -1 0 0 0 0]	1.67583e+07;
E[2][3]		E[2][3]		[1 2 -2 0 -1 0 0]	531567;
m[2][3]		m[2][3]		[0 0 0 0 0 0 0]		29.2174;
n[2][3]		n[2][3]		[0 0 0 0 0 0 0]		0;
T[2][3]		T[2][3]		[0 0 0 1 0 0 0]		200;
h[2][3]		h[2][3]		[0 2 -2 0 0 0 0]	-4e6;

zeta[2][3][C]		0.494996;  // zeta[solidPhase][pyroReac][species]
zeta[2][3][H]		0.136912;
zeta[2][3][O]		0.368092;

gamma[2][3][CO2]	1;

/*** CHEMISTRY IN THE BOUNDARY LAYER ***/

/*** 		Equilibrium chemistry: Boundary layer edge elemental composition (in MOLE fraction) used for option: mutationBprime	***/
//		Note: the list of elements comes from the mixture files that you have chosen
//		in thermophysicalProperties (mixtureMutationBprime).
//		Only the elements present in the mixture file are read here. Values not provided here default to 0.
//		All zero will make the code crash because it's not set up to run without gas.

// Air
Yke[C] 		0;
Yke[H] 		0;
Yke[O]		0.21;
Yke[N]		0.79;

/***		Finite-rate chemistry: Boundary layer edge species composition (in MASS fractions)  ***/
Yie[O2]		0.233;
Yie[N2]		0.767;


