The AIF is based on the STAR file specification and uses the below dictionary of data names to describe adsorption.
Current dictionary
| data name | description |
|---|---|
| _exptl_operator | name of the person who ran the experiment (string) |
| _exptl_date | date of the experiment (string in ISO 8601 format) |
| _exptl_instrument | instrument id used for the experiment (string) |
| _exptl_adsorptive | name of the adsorptive (string) |
| _exptl_adsorptive_name | secondary identifier (string) |
| _exptl_temperature | temperature of the experiment (float) |
| _exptl_method | description of method used to determine amount adsorbed, eg. volumetric (string) |
| _exptl_isotherm_type | description of isotherm type, eg. absolute, excess, net (string) |
| _exptl_p0 | saturation pressure of the experiment at the temperature of the experiment (float) |
| _exptl_digitizer | name of the person who digitized the experiment (string) |
| _adsnt_sample_mass | mass of the sample (float) |
| _adsnt_sample_density | density of the sample (float) |
| _adsnt_sample_id | unique identifying code used by the operator (string) |
| _adsnt_material_id | designated name for the material (string) |
| _adsnt_info | secondary identifier (string) |
| _adsnt_hashkey | secondary identifier (string) |
| _adsnt_degas_summary | summary of degas conditions (string) |
| _adsnt_degas_temperature | degas temperature (float) |
| _adsnt_degas_time | degas time (float) |
| _simltn_code | secondary identifier (string) |
| _simltn_date | date of the simulation (string in ISO 8601 format) |
| _simltn_size | num of unit cells, sample mass, etc (string) |
| _simltn_forcefield_adsorptive | adsorptive model details (string) |
| _simltn_forcefield_adsorbent | adsorbent model details (string) |
| _citation_doi | the digital object identifier (DOI) of the cited work (string) |
| _citation_source | source of the cited work (string) |
| _units_temperature | units of temperature (string) |
| _units_pressure | units of pressure (string) |
| _units_mass | units of mass (string) |
| _units_loading | units of amount adsorbed (string) |
| _units_density | units of density (string) |
| _units_time | units of time (string) |
| _units_composition_type | composition definiton (string) |
| _adsorp_pressure | equilibrium pressure of the adsorption measurement (float) |
| _adsorp_fugacity | fugacity of the adsorption measurement (float) |
| _adsorp_p0 | saturation pressure of the adsorption measurement at the temperature of the experiment(float) |
| _adsorp_amount | amount adsorbed during the adsorption measurement (float) |
| _desorp_pressure | equilibrium pressure of the desorption measurement at the temperature of the experiment (float) |
| _desorp_fugacity | fugacity of the desorption measurement (float) |
| _desorp_p0 | saturation pressure of the desorption measurement at the temperature of the experiment (float) |
| _desorp_amount | amount adsorbed during the desorption measurement (float) |
| _adsorp_amount_excess | excess amount adsorbed during the adsorption measurement (float) |
| _adsorp_amount_absolute | absolute amount adsorbed during the adsorption measurement (float) |
| _adsorp_amount_net | net amount adsorbed during the adsorption measurement (float) |
| _desorp_amount_excess | excess amount adsorbed during the desorption measurement (float) |
| _desorp_amount_absolute | absolute amount adsorbed during the desorption measurement (float) |
| _desorp_amount_net | net amount adsorbed during the desorption measurement (float) |
| _audit_aif_version | version of AIF data names (Github commit hash) |
| *_uncertainty | uncertainty associated with value (float) |
If you would like to suggest a new data name please contact the developers.