Input Composition#

peridoxia.input_composition.get_WH05_starting_comp(bulk_Fe2O3: float = 0.3, display: bool = False)#

Returns an assemblage corresponding to the DMM composition of Workman and Hart (2005). Initial phase modes and compositions are taken directly from WH05 (excluding oxides that are not incorporated into the model). Oxides for each mineral are then adjusted slightly to be stoichiometric phases, and minerals are assigned ‘reasonable’ Fe3+/tFe values (by converting FeO to Fe2O3) that are later adjusted by the code (when the user equilibrates at a given P/T) to fulfill partitioning relationships. Final assemblage bulk Fe2O3 may be slightly different than indicated value, due to adjustments when creating stoichiometric phase objects.

Parameters:

  • bulk_Fe2O3 (float) – bulk_Fe2O3, defaults to 0.3

  • display (bool) – whether to display final Assemblage, defaults to False

peridoxia.input_composition.get_starting_comp_from_file(file: str, sheet_name: str = 'Sheet1', bulk_Fe2O3: float | None = None, display: bool = False) → Assemblage#

Returns an assemblage corresponding the modes/oxides input by a user.

  • See Files and Templates for template file

  • File columns should be [mass, SiO2, Al2O3, Fe2O3, Cr2O3, FeO, MgO, CaO].

  • File rows should be [olv, opx, cpx, spl, gt, liq, agg_liq].

  • Missing rows/columns will be set to zero.

  • Any extra rows/columns will be ignored.

Parameters:

  • file (str) – file path to input file

  • sheet_name (str) – name of sheet to load, defaults to ‘Sheet 1’

  • bulk_Fe2O3 (float or None) – bulk wt% Fe2O3 to impose. By default, Fe2O3 will be read directly from input file. If bulk_Fe2O3 is set, FeO_total will be calculated and then redistributed between FeO and Fe2O3 to meet desired bulk Fe2O3 per 100 wt%.

  • display (bool) – whether to display final Assemblage, defaults to False

peridoxia.input_composition.garnet_project(assemblage: Assemblage, pot_TC: float, end_PGPa: float, spl_final: float, gt_in_rxn_wts: dict[str, float] = {'gt__pyx_pyxTs': 2, 'gt_olv__spl_pyx': 1}, display: bool = False) → Assemblage#

Projects a spinel-field assemblage into the garnet field.

Parameters:

  • assemblage (data_struct.Assemblage) – initial composition in the spinel field

  • pot_TC (float) – desired potential temperature for garnet-bearing assemblage

  • end_PGPa (float) – Desired pressure for final garnet-bearing assemblage

  • spl_final (float) – Desired amount of spinel remaining in garnet field (cannot be zero, as some spinel is required for partitioning relationships)

  • display (bool, optional) – whether to display final Assemblage, defaults to False

gt_in_rxn_wts : _type_, optional Relative amount of the two categories of gt-in reactions. By default {‘gt_olv__spl_pyx’:1, ‘gt__pyx_pyxTs’:2}. :return: Returns a projected assemblage in the garnet field. :rtype: data_struct.Assemblage