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

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

#include <EquilibriumSensitivity.hpp>

Public Attributes

Vector dndT
 The partial derivatives \(\left.\frac{\partial n}{\partial T}\right|_{P,b}\) (in units of mol/K). More...
 
Vector dndP
 The partial derivatives \(\left.\frac{\partial n}{\partial P}\right|_{T,b}\) (in units of mol/Pa). More...
 
Matrix dndb
 The partial derivatives \(\left.\frac{\partial n}{\partial b}\right|_{T,P}\) (in units of mol/mol). More...
 

Detailed Description

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

The sensitivity of the equilibrium state contains derivatives of the species amounts with respect to temperature, pressure, and 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.

Member Data Documentation

Vector dndT

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

These derivatives provide a measure of how much the equilibrium amounts of the species, \(n\), 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 dndP

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

These derivatives provide a measure of how much the equilibrium amounts of the species, \(n\), 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 dndb

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

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


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