Mixture file

The mixture file defines species properties and reaction models used by FELiCS for reacting-flow simulations.

The file is provided in JSON format and referenced in the main configuration file through Case.MixtureFilePath.

In simulations that do not involve:

• chemistry modelling,

• species transport,

• or reacting flows,

the mixture file is typically not required.

Structure

The mixture file may contain:

• a list of species definitions,

• and an optional reaction mechanism definition.

Species

The "Species" entry defines the species considered in the simulation together with their associated properties.

Typical entries include:

• "calc": how the species is treated by FELiCS,

• "Sc": Schmidt number of the species.

Example

"Species": {
    "phi": {
        "calc": "transported",
        "Sc": 0.9
    }
}

calc value	Description
"all"	Includes all species
"transported"	Includes species with dedicated transport equations
"constraint"	Includes passive constrained species

Reaction mechanism

The "Reaction_mechanism" entry defines the chemistry model used by FELiCS.

Example

"Reaction_mechanism": {
    "type": "KaiserCnF2023",

    "additional_fields": [
        "prefactor"
    ],

    "reactions": [
        {
            "educts": [],
            "stochiometricCoefficientsEducts": [],

            "products": [
                "progress"
            ],

            "stochiometricCoefficientsProducts": [
                1.0
            ]
        }
    ]
}

Parameter	Description
"type"	Reaction model used by FELiCS
"additional_fields"	Additional fields imported from the mean-flow file
"reactions"	List of chemical reactions

Currently implemented reaction models:

Type	Description
"KaiserCnF2023"	Kaiser combustion model

Complete example

{
    "Species": {
        "phi": {
            "calc": "transported",
            "Sc": 0.9
        }
    },

    "Reaction_mechanism": {
        "type": "KaiserCnF2023",

        "additional_fields": [
            "prefactor"
        ],

        "reactions": [
            {
                "educts": [],
                "stochiometricCoefficientsEducts": [],

                "products": [
                    "progress"
                ],

                "stochiometricCoefficientsProducts": [
                    1.0
                ]
            }
        ]
    }
}