RASPA3 3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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Isotherm Struct Referenceexport
module isotherm
Collaboration diagram for Isotherm:

Public Types

enum class  Type {
  Langmuir = 0 , Anti_Langmuir = 1 , BET = 2 , Henry = 3 ,
  Freundlich = 4 , Sips = 5 , Langmuir_Freundlich = 6 , Redlich_Peterson = 7 ,
  Toth = 8 , Unilan = 9 , OBrien_Myers = 10 , Quadratic = 11 ,
  Temkin = 12
}
 

Public Member Functions

 Isotherm (Isotherm::Type type, const std::vector< double > &values, std::size_t numberOfValues)
 
bool operator== (Isotherm const &) const =default
 
std::string print () const
 
std::string printAsInputFormat () const
 
double value (double pressure) const
 
double psiForPressure (double pressure) const
 
double inversePressureForPsi (double reduced_grand_potential, double &cachedP0) const
 
void randomize (RandomNumber &random, double maximumLoading)
 
bool isUnphysical () const
 
std::string gnuplotFunctionString (char s, std::size_t i) const
 

Public Attributes

Isotherm::Type type
 
std::vector< double > parameters
 
std::size_t numberOfParameters
 

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