Chemistry information

This function is used to obtain useful chemistry information that is based on the chemistry model file chosen. The output of this function can be for the most part used to determine the inflows required to craft the input for other OLI calculations.

chemistry information

GET https://api.olisystems.com/engine/file/{dbs_file_id}/chemistry-info

get information on the inflows, species and thermodynamic framework for a given chemistry model

Headers

Name	Type	Description
Authorization	string	Bearer {access_token}

200 Please look at the "API call blueprint" page on how to obtain results

{
	"code": 200,
	"data": {
		"file_id": "dee854a6-59db-487d-ad08-a20dee691133",
		"jobId": "f6b3375e-cd0f-4ace-a5ee-71e047b76754",
		"resultsLink": "https://devapi.olisystems.com/result/flash/f6b3375e-cd0f-4ace-a5ee-71e047b76754?context=engine",
		"status": "IN PROGRESS"
	},
	"message": "Process execution started Successfully",
	"status": "SUCCESS"
}

Response (status = PROCESSED)

{
    "data": {
        "result": {
            "inflows": [
                {
                    "baseName": "H2O",
                    "mw": 18.01533
                },
                {
                    "baseName": "CO2",
                    "mw": 44.00991
                },
                {
                    "baseName": "BENZENE",
                    "mw": 78.11442
                },
                {
                    "baseName": "HCL",
                    "mw": 36.46097
                },
                ...<snip>...
            ],
            "species": [
                {
                    "baseName": "H2O",
                    "charge": 0.0,
                    "mw": 18.01533,
                    "phase": "liquid",
                    "trueName": "H2O"
                },
                {
                    "baseName": "H2O",
                    "charge": 0.0,
                    "mw": 18.01533,
                    "phase": "vapor",
                    "trueName": "H2OVAP"
                }
                {
                    "baseName": "H2O",
                    "charge": 0.0,
                    "mw": 18.01533,
                    "phase": "solid",
                    "trueName": "H2OPPT"
                },
                {
                    "baseName": "NA2CO3",
                    "charge": 0.0,
                    "mw": 105.98924,
                    "phase": "solid",
                    "trueName": "NA2CO3PPT"
                },
                {
                    "baseName": "NA3HCO32",
                    "charge": 0.0,
                    "mw": 189.99648000000002,
                    "phase": "solid",
                    "trueName": "NA3HCO32PPT"
                },
                {
                    "baseName": "NA5H3CO34",
                    "charge": 0.0,
                    "mw": 358.01096,
                    "phase": "solid",
                    "trueName": "NA5H3CO34PPT"
                },
                ...<snip>...
            ],
            "thermodynamicFramework": "MSE"
        }
    },
    "message": "Results returned successfully",
    "status": "PROCESSED"
}

There may be more inflows generated here than that was specified during the chemistry model generation stage. These extra inflows are called "related inflows", as they are the other possible inflows that can be formed from the combination of individual material species that formed the original inflows.

The response contains two main keys i.e. the result.inflows and result.species. Both are array type objects. Their values are described below

data.result.inflows[ { } ]	type	description
baseName	string	name of inflow
mw	number	molecular weight

data.result.species[ { } ]	type	value
baseName	string	species name
trueName	string	name of species with suffix
mw	number	molecular weight
charge	number	species charge
phase	string	phase in which species exists

if a species exists in "aqeuous" phase, this means it can be present in liquid1 and/or liquid2 phases

Description of "trueName"

OLI's species naming scheme internally attaches a suffix at the end of species name to indicate the type of species.

suffix	species type	possible phases
AQ	molecular (neutral)	liquid1, liquid2
ION	ionic (charged)	liquid1, liquid2
PPT	precipitate	solid
.nH2O	hydrate	solid
SOL	surface species	surface
CPI	surface ionic species	surface
CPM	surface neutral species	surface

The only exception is H2O species, it does not have a suffix and is understood to be in the aqueous phase and/or the second liquid phase.