KineticsSensitivity Class Reference

The sensitivity derivatives of a chemical equilibrium state. More...

`#include <KineticsSensitivity.hpp>`

Collaboration diagram for KineticsSensitivity:

## Public Member Functions | |

KineticsSensitivity () | |

Construct a default KineticsSensitivity object. | |

KineticsSensitivity (EquilibriumSpecs const &specs) | |

Construct a KineticsSensitivity object with given equilibrium problem specifications. | |

KineticsSensitivity (EquilibriumSensitivity const &other) | |

Construct a KineticsSensitivity object from an EquilibriumSensitivity object. | |

auto | initialize (EquilibriumSpecs const &specs) -> void |

Initialize this KineticsSensitivity object with given equilibrium problem specifications. | |

auto | dnddt () const -> VectorXdConstRef |

Return the derivatives of the species amounts n with respect to time step Δt. | |

auto | dpddt () const -> VectorXdConstRef |

Return the derivatives of the p control variables with respect to time step Δt. | |

auto | dqddt () const -> VectorXdConstRef |

Return the derivatives of the q control variables with respect to time step Δt. | |

auto | duddt () const -> VectorXdConstRef |

Return the sensitivity derivatives of the chemical properties u with respect to time step Δt. | |

Public Member Functions inherited from EquilibriumSensitivity | |

EquilibriumSensitivity () | |

Construct a default EquilibriumSensitivity object. | |

EquilibriumSensitivity (EquilibriumSpecs const &specs) | |

Construct an EquilibriumSensitivity object with given equilibrium problem specifications. | |

auto | initialize (EquilibriumSpecs const &specs) -> void |

Initialize this EquilibriumSensitivity object with given equilibrium problem specifications. | |

auto | dndw (String const &wid) const -> VectorXdConstRef |

Return the derivatives of the species amounts n with respect to an input variable in w. More... | |

auto | dndw (Param const ¶m) const -> VectorXdConstRef |

Return the derivatives of the species amounts n with respect to an input variable in w. More... | |

auto | dndw () const -> MatrixXdConstRef |

Return the derivatives of the species amounts n with respect to the input variables w. | |

auto | dndw (MatrixXdConstRef data) -> void |

Set the derivatives of the species amounts n with respect to the input variables w. | |

auto | dpdw (String const &wid) const -> VectorXdConstRef |

Return the derivatives of the p control variables with respect to an input variable in w. More... | |

auto | dpdw (Param const ¶m) const -> VectorXdConstRef |

Return the derivatives of the p control variables with respect to an input variable in w. More... | |

auto | dpdw () const -> MatrixXdConstRef |

Return the derivatives of the p control variables with respect to the input variables w. | |

auto | dpdw (MatrixXdConstRef data) -> void |

Set the derivatives of the p control variables with respect to the input variables w. | |

auto | dqdw (String const &wid) const -> VectorXdConstRef |

Return the derivatives of the q control variables with respect to an input variable in w. More... | |

auto | dqdw (Param const ¶m) const -> VectorXdConstRef |

Return the derivatives of the q control variables with respect to an input variable in w. More... | |

auto | dqdw () const -> MatrixXdConstRef |

Return the derivatives of the q control variables with respect to the input variables w. | |

auto | dqdw (MatrixXdConstRef data) -> void |

Set the derivatives of the q control variables with respect to the input variables w. | |

auto | dndc () const -> MatrixXdConstRef |

Return the derivatives of the species amounts n with respect to component amounts c. | |

auto | dndc (MatrixXdConstRef data) -> void |

Set the derivatives of the species amounts n with respect to component amounts c. | |

auto | dpdc () const -> MatrixXdConstRef |

Return the derivatives of the control variables p with respect to component amounts c. | |

auto | dpdc (MatrixXdConstRef data) -> void |

Set the derivatives of the control variables p with respect to component amounts c. | |

auto | dqdc () const -> MatrixXdConstRef |

Return the derivatives of the control variables q with respect to component amounts c. | |

auto | dqdc (MatrixXdConstRef data) -> void |

Set the derivatives of the control variables q with respect to component amounts c. | |

auto | dudw () const -> MatrixXdConstRef |

Return the total derivatives of the chemical properties u with respect to input variables w. | |

auto | dudc () const -> MatrixXdConstRef |

Return the total derivatives of the chemical properties u with respect to component amounts c. | |

auto | dudw (MatrixXdConstRef data) -> void |

Set the total derivatives of the chemical properties u with respect to input variables w. | |

auto | dudc (MatrixXdConstRef data) -> void |

Set the total derivatives of the chemical properties u with respect to component amounts c. | |

## Detailed Description

The sensitivity derivatives of a chemical equilibrium state.

This class stores the sensitivity derivatives of a chemical equilibrium state. These are partial derivatives of the species amounts with respect to input variables, such as temperature, pressure, amounts of the elements. If the chemical equilibrium state is computed with other given conditions, for example, given volume and internal energy, derivatives with respect to these input conditions will be available. These sensitivity derivatives are important for implicit numerical methods, since they enable faster convergence rates.

The documentation for this class was generated from the following file:

- Reaktoro/Kinetics/KineticsSensitivity.hpp