Conservative system

PeleC advances the following set of fully compressible equations for the conserved state vector: \(\mathbf{U} = (\rho, \rho \mathbf{u}, \rho E, \rho Y_k, \rho A_k, \rho B_k):\)

\[ \begin{align}\begin{aligned}\frac{\partial \rho}{\partial t} &=& - \nabla \cdot (\rho \mathbf{u}) + S_{{\rm ext},\rho},\\\frac{\partial (\rho \mathbf{u})}{\partial t} &=& - \nabla \cdot (\rho \mathbf{u} \otimes \mathbf{u} + \mathbf{\Pi}) - \nabla p +\rho \mathbf{g} + \mathbf{S}_{{\rm ext},\rho\mathbf{u}},\\\frac{\partial (\rho E)}{\partial t} &=& - \nabla \cdot (\rho \mathbf{u} E + p \mathbf{u}) - \nabla \cdot (\mathbf{\Pi} \cdot \mathbf{u}) + \rho \mathbf{u} \cdot \mathbf{g} + \nabla\cdot \boldsymbol{\mathcal{Q}}+ S_{{\rm ext},\rho E},\\\frac{\partial (\rho Y_k)}{\partial t} &=& - \nabla \cdot (\rho \mathbf{u} Y_k) - \nabla \cdot \boldsymbol{\mathcal{F}}_{k} + \rho \dot\omega_k + S_{{\rm ext},\rho Y_k},\\\frac{\partial (\rho A_k)}{\partial t} &=& - \nabla \cdot (\rho \mathbf{u} A_k) + S_{{\rm ext},\rho A_k},\\\frac{\partial (\rho B_k)}{\partial t} &=& - \nabla \cdot (\rho \mathbf{u} B_k) + S_{{\rm ext},\rho B_k}.\end{aligned}\end{align} \]

Here \(\rho, \mathbf{u}, T\), and \(p\) are the density, velocity, temperature and pressure, respectively. \(E = e + \mathbf{u} \cdot \mathbf{u} / 2\) is the total energy with \(e\) representing the internal energy, which is defined as in the CHEMKIN standard to include both sensible and chemical energy (species heats of formation) and is conserved across chemical reactions. \(Y_k\) is the mass fraction of the \(k^{\rm th}\) species, with associated production rate, \(\dot\omega_k\). Here \(\mathbf{g}\) is the gravitational vector, and \(S_{{\rm ext},\rho}, \mathbf{S}_{{\rm ext},\rho\mathbf{u}}\), etc., are user-specified source terms. \(A_k\) is an advected quantity, i.e., a tracer. Also \(\boldsymbol{\mathcal{F}}_{m}, \mathbf{\Pi}\), and \(\boldsymbol{\mathcal{Q}}\) are the diffusive transport fluxes for species, momentum and heat. Note that the internal energy for species \(k\) includes its heat of formation (and can therefore take on negative and positive values). The auxiliary fields, \(B_k\), have a user-defined evolution equation, but by default are treated as advected quantities.

In the code we carry around \(T\) and \(\rho e\) in the state vector even though they are redundant with the state since they may be derived from the other conserved quantities. The ordering of the elements within \(\mathbf{U}\) is defined by integer variables in the header file Source/IndexDefines.H.

Some notes:

  • Regardless of the dimensionality of the problem, we always carry all 3 components of the velocity. You should always initialize all velocity components to zero, and always construct the kinetic energy with all three velocity components.

  • There are NUM_ADV advected quantities, whose indices in the state vector range from \({\tt UFA: UFA+nadv-1}\). Here, UFA(=7) refers to the number of conserverd variables not including the transported species. The advected quantities have no effect at all on the rest of the solution but can be useful as tracer quantities.

  • There are NUM_SPECIES species defined in the chemistry model, whose indices in the state vector range from \({\tt UFS: UFS+nspecies-1}\) where UFS=UFA+nadv.

  • There are NUM_AUX auxiliary variables, from \({\tt UFX:UFX+naux-1}\). Here, UFX=UFS+NUM_SPECIES. The auxiliary variables are passed into the equation of state routines along with the species.

  • There are NUM_LIN linear passive variables, from \({\tt ULIN:ULIN+NUM\_LIN-1}\). The linear passive variables are scalar variables where \(\mathbf{U}=\mathbf{Q}\) instead of \(\mathbf{U}=\rho\mathbf{Q}\)

Primitive Forms

PeleC uses the primitive form of the inviscid fluid equations, defined in terms of the state \(\mathbf{Q} = (\rho, \mathbf{u}, p, \rho e, Y_k, A_k, B_k)\), to construct the interface states that are input to the Riemann problem. All of the primitive variables are derived from the conservative state vector. This task is performed in the function pc_ctoprim located in Source/Utilities.H.

The inviscid equations for primitive variables namely density, velocity, and pressure are:

\[ \begin{align}\begin{aligned}\frac{\partial\rho}{\partial t} &=& -\mathbf{u}\cdot\nabla\rho - \rho\nabla\cdot\mathbf{u} + S_{{\rm ext},\rho}\\\frac{\partial\mathbf{u}}{\partial t} &=& -\mathbf{u}\cdot\nabla\mathbf{u} - \frac{1}{\rho}\nabla p + \mathbf{g} + \frac{1}{\rho} (\mathbf{S}_{{\rm ext},\rho\mathbf{u}} - \mathbf{u} \; S_{{\rm ext},\rho})\\\frac{\partial p}{\partial t} &=& -\mathbf{u}\cdot\nabla p - \rho c^2\nabla\cdot\mathbf{u} + \left(\frac{\partial p}{\partial \rho}\right)_{e,Y}S_{{\rm ext},\rho}\nonumber\\&&+\ \frac{1}{\rho}\sum_k\left(\frac{\partial p}{\partial Y_k}\right)_{\rho,e,Y_j,j\neq k}\left(\rho\dot\omega_k + S_{{\rm ext},\rho Y_k} - Y_kS_{{\rm ext},\rho}\right)\nonumber\\&& +\ \frac{1}{\rho}\left(\frac{\partial p}{\partial e}\right)_{\rho,Y}\left[-eS_{{\rm ext},\rho} - \sum_k\rho q_k\dot\omega_k + \nabla\cdot k_{\rm th}\nabla T \right.\nonumber\\&& \quad\qquad\qquad\qquad+\ S_{{\rm ext},\rho E} - \mathbf{u}\cdot\left(\mathbf{S}_{{\rm ext},\rho\mathbf{u}} - \frac{\mathbf{u}}{2}S_{{\rm ext},\rho}\right)\Biggr]\end{aligned}\end{align} \]

The advected quantities appear as:

\[ \begin{align}\begin{aligned}\frac{\partial Y_k}{\partial t} &=& -\mathbf{u}\cdot\nabla Y_k + \dot\omega_k + \frac{1}{\rho} ( S_{{\rm ext},\rho Y_k} - Y_k S_{{\rm ext},\rho} ),\\\frac{\partial A_k}{\partial t} &=& -\mathbf{u}\cdot\nabla A_k + \frac{1}{\rho} ( S_{{\rm ext},\rho A_k} - A_k S_{{\rm ext},\rho} ),\\\frac{\partial B_k}{\partial t} &=& -\mathbf{u}\cdot\nabla B_k + \frac{1}{\rho} ( S_{{\rm ext},\rho B_k} - B_k S_{{\rm ext},\rho} ).\end{aligned}\end{align} \]

When accessing the primitive variable state vector, the integer variable keys for the different quantities are listed in the header file Source/IndexDefines.H.

Source Terms

We now compute explicit source terms for each variable in \(\mathbf{Q}\) and \(\mathbf{U}\). The primitive variable source terms will be used to construct time-centered fluxes. The conserved variable source will be used to advance the solution. This task is performed in the function pc_srctoprim located in Source/Hydro.H. We neglect reaction source terms since they are accounted for in the characteristic integration in the PPM algorithm. The source terms are:

\[\begin{split}\mathbf{S}_{\mathbf{Q}}^n = \left(\begin{array}{c} S_\rho \\ S_{\mathbf{u}} \\ S_p \\ S_{\rho e} \\ S_{Y_k} \\ S_{A_k} \\ S_{B_k} \end{array}\right)^n = \left(\begin{array}{c} S_{{\rm ext},\rho} \\ \mathbf{g} + \frac{1}{\rho}\mathbf{S}_{{\rm ext},\rho\mathbf{u}} \\ \frac{1}{\rho}\frac{\partial p}{\partial e}S_{{\rm ext},\rho E} + \frac{\partial p}{\partial\rho}S_{{\rm ext}\rho} \\ \nabla\cdot k_{\rm th} \nabla T + S_{{\rm ext},\rho E} \\ \frac{1}{\rho}S_{{\rm ext},\rho Y_k} \\ \frac{1}{\rho}S_{{\rm ext},\rho A_k} \\ \frac{1}{\rho}S_{{\rm ext},\rho B_k} \end{array}\right)^n,\end{split}\]
\[\begin{split}\mathbf{S}_{\mathbf{U}}^n = \left(\begin{array}{c} \mathbf{S}_{\rho}\\ \mathbf{S}_{\rho\mathbf{u}}\\ S_{\rho E} \\ S_{\rho Y_k} \\ S_{\rho A_k} \\ S_{\rho B_k} \end{array}\right)^n = \left(\begin{array}{c} \mathbf{S}_{{\rm ext},\rho} \\ \rho \mathbf{g} + \mathbf{S}_{{\rm ext},\rho\mathbf{u}} \\ \rho \mathbf{u} \cdot \mathbf{g} + \nabla\cdot k_{\rm th} \nabla T + S_{{\rm ext},\rho E} \\ S_{{\rm ext},\rho Y_k} \\ S_{{\rm ext},\rho A_k} \\ S_{{\rm ext},\rho B_k} \end{array}\right)^n.\end{split}\]