cl_GM_EoS_Cubic.hpp

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/*
 * BELFEM -- The Berkeley Lab Finite Element Framework
 * Copyright (c) 2026, The Regents of the University of California,
 * through Lawrence Berkeley National Laboratory (subject to receipt of any required
 * approvals from the U.S. Dept. of Energy).  All rights reserved.
 *
 * Developers: Christian Messe, Gregory Giard
 *
 * See the top-level LICENSE file for the complete license and disclaimer.
 */
 
#ifndef BELFEM_CL_GM_EOS_CUBIC_HPP
#define BELFEM_CL_GM_EOS_CUBIC_HPP
 
#include "typedefs.hpp"
#include "cl_Spline.hpp"
#include "cl_GM_EoS.hpp"
#include "en_GM_GasModel.hpp"
#include "cl_Matrix.hpp"
 
namespace belfem
{
    namespace gasmodels
    {
        class AlphaFunction;
 
//----------------------------------------------------------------------------

        class EoS_Cubic : public EoS
        {
//----------------------------------------------------------------------------
        private:
//----------------------------------------------------------------------------
            // equation constants
            real mR1;
            real mR2;
            real mOmegaA;
            real mOmegaB;
 
            Vector< real > mAc;
            Vector< real > mBc;
 
            // values of alpha, recomputed by eval_a for the current T
            mutable Vector< real > mA;
            mutable Vector< real > mdAdT;
            mutable Vector< real > md2AdT2;
 
            // b, b*r1, b*r2 and b*( r2 - r1 ), mixed in remix()
            Vector< real > mB;
 
            // alpha functions
            Cell< AlphaFunction * > mAlpha;

            mutable Vector< real > mCubicTemperatures;
            mutable Vector< real > mCubicStatevals;

            mutable Vector< real > mWorkA;
            mutable Vector< real > mWorkZ;

            mutable real mDepartureV;
            mutable real mDepartureValue; // log( ( v - b*r2)/(v-b*r1))
 
            // splines for departure function at p = gPref
            Cell< Matrix<real> > mDepartureCoefficients;
 
            Spline mDepartureSpline;
 
            // component wise properties
            mutable index_t mComponentCol; // column for departure spline
            mutable real mComponentT = BELFEM_QUIET_NAN;
            mutable real mComponentP = BELFEM_QUIET_NAN;
            mutable Vector< real > mComponentHDEP;
            mutable Vector< real > mComponentCPDEP;
            mutable Vector< real > mComponentV;
 
//----------------------------------------------------------------------------
        public:
//----------------------------------------------------------------------------
 
            EoS_Cubic( Gas & aParent, const GasModel aGasModel );
 
//----------------------------------------------------------------------------
 
            ~EoS_Cubic();
 
//----------------------------------------------------------------------------
 
            void
            remix();
 
//----------------------------------------------------------------------------
// Thermodynamic State
//----------------------------------------------------------------------------
 
            real
            p( const real T, const real v ) const;
 
            real
            v( const real T, const real p ) const;
 
            real
            T( const real p, const real v ) const;
 
//----------------------------------------------------------------------------
// State Derivatives
//----------------------------------------------------------------------------
            real
            dpdT( const real T, const real v ) const;
 
//----------------------------------------------------------------------------

            real
            d2pdT2( const real T, const real v ) const;
 
//----------------------------------------------------------------------------

            real
            dpdv( const real T, const real v ) const;
 
//----------------------------------------------------------------------------
            real
            d2pdv2( const real T, const real v ) const;
 
//------------------------------------------------------------------------------
// Thermodynamic Coefficients
//------------------------------------------------------------------------------

            real
            alpha( const real T, const real p ) const;
 
//------------------------------------------------------------------------------

            real
            beta( const real T, const real p ) const;
 
//------------------------------------------------------------------------------

            real
            kappa( const real T, const real p ) const;
 
//------------------------------------------------------------------------------
// Departure Functions
//------------------------------------------------------------------------------

            real
            hdep( const real T, const real p ) const;
 
//------------------------------------------------------------------------------
 
            real
            cpdep( const real T, const real p ) const;
 
//------------------------------------------------------------------------------
 
            real
            sdep( const real T, const real p ) const;
 
//------------------------------------------------------------------------------
 
            // pressure derivative of enthalpy departure
            real
            dhdepdp( const real T, const real p ) const;
 
//------------------------------------------------------------------------------
 
            // temperature derivative of entropy departure
            real
            dsdepdT( const real T, const real p ) const;
 
//------------------------------------------------------------------------------
 
            // pressure derivative of entropy departure
            real
            dsdepdp( const real T, const real p ) const;
 
//------------------------------------------------------------------------------
 
            real
            hdep0( const real T ) const;
 
//------------------------------------------------------------------------------
 
            real
            cpdep0( const real T ) const;
 
//------------------------------------------------------------------------------
 
            real
            sdep0( const real T ) const;
 
//------------------------------------------------------------------------------
 
            // temperature derivative of entropy departure
            real
            dsdepdT0( const real T ) const;
 
//------------------------------------------------------------------------------
 
            void
            eval_critical_point( real & T, real & p, real & v ) const;
 
//------------------------------------------------------------------------------
// Component Wise Specific Volume and Departure Functions
//------------------------------------------------------------------------------
 
            real
            v( const uint aIndex, const real T, const real p ) const;
 
//------------------------------------------------------------------------------
 
            real
            hdep( const uint aIndex, const real T, const real p ) const;
 
//------------------------------------------------------------------------------
 
            real
            cpdep( const uint aIndex, const real T, const real p ) const;
 
//------------------------------------------------------------------------------
        private:
//------------------------------------------------------------------------------
//      INITIALIZATION
//------------------------------------------------------------------------------
 
            void
            init_srk();
 
//------------------------------------------------------------------------------
 
            void
            init_pr();
 
//------------------------------------------------------------------------------
 
            void
            init_common();
 
//------------------------------------------------------------------------------
 
            void
            init_departure_splines();
 
//------------------------------------------------------------------------------
//      A-FACTOR
//------------------------------------------------------------------------------

            void
            eval_a( const real T, const int aDeriv ) const;
 
//------------------------------------------------------------------------------

            real
            a( const real T ) const;
 
//------------------------------------------------------------------------------

            real
            dadT( const real T ) const;
 
//------------------------------------------------------------------------------

            real
            d2adT2( const real T ) const;
 
//------------------------------------------------------------------------------

             real
             chi( const real v ) const;
 
 
             real
             dchidT( const real T, const real p, const real v ) const;
 
             real
             dchidp( const real T, const real p, const real v ) const;
 
//------------------------------------------------------------------------------
// component wise density etc
//------------------------------------------------------------------------------
 
            void
            component_wise_parameters(
                    const uint aIndex,
                    const real T,
                    const real p,
                    real & v,
                    real & aHDEP,
                    real & aCPDEP ) const;
 
//------------------------------------------------------------------------------
 
            void
            update_component_parameters(
                    const real T,
                    const real p ) const;
 
        };
 
//----------------------------------------------------------------------------
    } /* namespace gasmodels */
} /* namespace belfem */
#endif //BELFEM_CL_GM_EOS_CUBIC_HPP