Reaktoro 
A unified framework for modeling chemically reactive systems
Reaktoro::EquilibriumSensitivity Struct Reference

Detailed Description

A type that contains the sensitivity data of the equilibrium state.

The sensitivity of the equilibrium state contains derivatives of the species molar amounts with respect to temperature, pressure, and molar amounts of the elements. It is an important information for implicit numerical methods, since these derivatives allow the calculation to converge faster to the solution.

#include <EquilibriumSensitivity.hpp>

Public Attributes

Vector dnedT
 The partial derivatives \(\left.\frac{\partial n_e}{\partial T}\right|_{P,b_e}\) (in units of mol/K). More...
 
Vector dnedP
 The partial derivatives \(\left.\frac{\partial n_e}{\partial P}\right|_{T,b_e}\) (in units of mol/Pa). More...
 
Matrix dnedbe
 The partial derivatives \(\left.\frac{\partial n_e}{\partial b_e}\right|_{T,P}\) (in units of mol/mol). More...
 

Member Data Documentation

Vector Reaktoro::EquilibriumSensitivity::dnedT

The partial derivatives \(\left.\frac{\partial n_e}{\partial T}\right|_{P,b_e}\) (in units of mol/K).

These derivatives provide a measure of how much the equilibrium molar amounts of the equilibrium species, \(n_e\), change with an infinitesimal change in temperature, \(T\). They are useful when solving non-linear problems that involve equilibrium calculations and derivatives with respect to temperature.

Vector Reaktoro::EquilibriumSensitivity::dnedP

The partial derivatives \(\left.\frac{\partial n_e}{\partial P}\right|_{T,b_e}\) (in units of mol/Pa).

These derivatives provide a measure of how much the equilibrium molar amounts of the equilibrium species, \(n_e\), change with an infinitesimal change in pressure, \(P\). They are useful when solving non-linear problems that involve equilibrium calculations and derivatives with respect to pressure.

Matrix Reaktoro::EquilibriumSensitivity::dnedbe

The partial derivatives \(\left.\frac{\partial n_e}{\partial b_e}\right|_{T,P}\) (in units of mol/mol).

These derivatives provide a measure of how much the equilibrium molar amounts of the equilibrium species, \(n_e\), change with an infinitesimal change in the amounts of equilibrium elements, \(b_e\). They are useful when solving non-linear problems that involve equilibrium calculations and derivatives with respect to the amounts of equilibrium elements.


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