Water analysis

This function performs electroneutrality and property reconciliation calculations from incomplete and/or inaccurate water sample data based on ionic species input.

water analysis

POST https://api.olisystems.com/engine/flash/{dbs_file_id}/wateranalysis

run a water analysis calculation with anions, cations and nuetrals as input

Headers

Name
Type
Description

Authorization

string

Bearer {access_token}

Content-Type

string

application/json

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

Request payload

{
    "params": {
        "waterAnalysisInputs": [
            {
                "group": "Cations",
                "name": "NAION",
                "unit": "mg/L",
                "value": 100,
                "charge": 1
            },
            {
                "group": "Cations",
                "name": "KION",
                "unit": "mg/L",
                "value": 200,
                "charge": 1
            },
            {
                "group": "Cations",
                "name": "CAION",
                "unit": "mg/L",
                "value": 300,
                "charge": 2
            },
            {
                "group": "Anions",
                "name": "CLION",
                "unit": "mg/L",
                "value": 100,
                "charge": -1
            },
            {
                "group": "Anions",
                "name": "SO4ION",
                "unit": "mg/L",
                "value": 200,
                "charge": -2
            },
            {
                "group": "Anions",
                "name": "HCO3ION",
                "unit": "mg/L",
                "value": 300,
                "charge": -1
            },
            {
                "group": "Anions",
                "name": "ACETATEION",
                "unit": "mg/L",
                "value": 400,
                "charge": -1
            },
            {
                "group": "Neutrals",
                "name": "SIO2",
                "unit": "mg/L",
                "value": 100,
                "charge": 0
            },
            {
                "group": "Properties",
                "name": "Temperature",
                "unit": "°C",
                "value": 30
            },
            {
                "group": "Properties",
                "name": "Pressure",
                "unit": "atm",
                "value": 1.5
            },
            {
                "group": "Electroneutrality Options",
                "name": "ElectroNeutralityBalanceType",
                "value": "DominantIon"
            },
            {
                "group": "Calculation Options",
                "name": "CalcType",
                "value": "EquilCalcOnly"
            },
            {
                "group": "Calculation Options",
                "name": "CalcAlkalnity",
                "value": false
            },
            {
                "group": "Calculation Options",
                "name": "AllowSolidsToForm",
                "value": true
            }
        ]
    }
}

each entry in the params.waterAnalysisInputs follows a JSON format described below.

params.waterAnalysisInputs

type

description

group

string

Properties/Cations/Anions/Electroneutrality Options/Calculation Options

name

string

name of entity under the group

value

number/string

value of entity

unit

string

unit of entity

charge

number

charge of species if group is Cations/Anions

specifying temperature and pressure

{
    "group": "Properties",
    "name": "Temperature",
    "unit": "°C",
    "value": 30
},
{
    "group": "Properties",
    "name": "Pressure",
    "unit": "atm",
    "value": 1.5
}

units of temperature and pressure can be found here.

specifying volume

{
    "group": "Properties",
    "name": "Volume",
    "unit": "L",
    "value": 1.0
}

units of volume can be found here.

volume can only be specified when inflows are in concentration or molar concentration units. 1 L will be assumed when the volume is not specified.

specifying stream amount

{
    "group": "Properties",
    "name": "StreamAmount",
    "unit": "g",
    "value": 1000.0
}

Stream amount can be specified as units of mole or mass.

Stream amount cannot be specified when inflows are specified as concentration or molar concentration units.

specifying species inputs

The three types of species that can be specified in the water sample are "Cations", "Anions" or "Neutrals". Example input and description are given below.

{
    "group": "Cations",
    "name": "NAION",
    "unit": "mg/L",
    "value": 100,
    "charge": 1
}

key

value type

description

group

string

species type, i.e. "Cations", "Anions", or "Neutrals"

name

string

species name

unit

string

species composition units

value

number

species composition

charge

number

species charge

species composition unit types

units

concentration

mg/L, g/L, kg/m3, lb/ft3, lb/gal

molar concentration

mol/L, mol/m3, mmol/L, lbmol/ft3

mole

mass

mole fraction

mass fraction

name and charge can be retrieved using chemistry information call.

charge input is optional. A warning will be generated in the output if user input charge is inconsistent with the current chemistry model, and the chemistry model value will be used.

units for species input can be found here.

Electroneutrality options

Since the charge balance may not be conserved for the water sample data, OLI supports several options to reconcile the electroneutrality. Example input and description are given below.

{
    "group": "Electroneutrality Options",
    "name": "ElectroNeutralityBalanceType",
    "value": "DominantIon"
}

value

description

DominantIon

the species with the most charge contribution is added or removed

ProrateCations

all cations are added or removed proportionally w.r.t. original molar concentration

ProrateAnions

all anions are added or removed proportionally w.r.t. original molar concentration

Prorate

all cations or anions are added proportionally w.r.t. original molar concentration

AutoNACL

NAION or CLION is added

MakeupIon

a user-selected ion species is added or removed

if "MakeupIon" is selected, then an additional object is needed to specify the user-selected ion. See the example below.

{
    "group": "Electroneutrality Options",
    "name": "MakeupIonBaseTag",
    "value": "CAION"
}

Allowing solids to form

Users can specify whether to allow potential solids to form. To select excluding or including specified solid(s) to form, please refer to excluded/included solid species section in Optional Inputs.

{
    "group": "Calculation Options",
    "name": "AllowSolidsToForm",
    "value": true
}

Calculating alkalinity

Optionally the alkalinity of the solution can be computed. Example input and description are given below.

{
    "group": "Calculation Options",
    "name": "CalcAlkalnity",
    "value": true
},
{
    "group": "Calculation Options",
    "name": "AlkalinityPhTitrant",
    "value": "H2SO4"
},
{
    "group": "Properties",
    "name": "AlkalinityTitrationEndPointpH",
    "value": 4.5
}

group

name

type of value

description

Calculation Options

CalcAlkalnity

boolean

option to calculate alkalinity

Calculation Options

AlkalinityPhTitrant

string

name of pH titrant used in alkalinity measurement

Properties

AlkalinityTitrationEndPointpH

number

endpoint pH in alkalinity measurement

Property reconciliation type

Different property reconciliation types can be specified with the type specified in the value field. Example input and description are given below.

{
    "group": "Calculation Options",
    "name": "CalcType",
    "value": "EquilCalcOnly"
}

value

description

EquilCalcOnly

only perform equilibrium calculation without any property reconciliation

ReconcilePh

reconcile solution pH to a specified measured value by adjusting acid and base titrant amount

ReconcilePhAndAlkalinity

reconcile both pH and alkalinity to measured values by adjusting pH and alkalinity titrant amount

ReconcilePhAndAlkalinityAndTic

reconcile pH, alkalinity, and total inorganic carbon (TIC) to measured values by adjusting titrant amount

ReconcileCo2Gas

reconcile gas-phase CO2 content (mole %) to a measured value by adjusting CO2 amount

These options are described in more detail below.

Reconciling pH only

There is an option to only reconcile pH to a measured value. Example input and description are given below.

{
    "group": "Calculation Options",
    "name": "CalcType",
    "value": "ReconcilePh"
},
{
    "group": "Properties",
    "name": "pH",
    "value": 10
},
{
    "group": "Calculation Options",
    "name": "PhAcidTitrant",
    "value": "HCL"
},
{
    "group": "Calculation Options",
    "name": "PhBaseTitrant",
    "value": "NAOH"
}

group

name

value type

description

Calculation Options

CalcType

string

set to "ReconcilePh"

Properties

pH

number

measured pH

Calculation Options

PhAcidTitrant

string

pH acid titrant name

Calculation Options

PhBaseTitrant

string

pH base titrant name

Calculation Options

Titrant

string

single pH titrant name

Both PhAcidTitrant and PhBaseTitrant need to be specified; otherwise, Titrant needs to specified as a single pH titrant. The "value" field of the titrant object needs to be specified as the inflow name of the titrant species. The available inflow names in the chemistry model can be retrieved from chemistry information call under result.inflows.

Reconcile pH and alkalinity

Both pH and alkalinity may be reconciled simultaneously. In addition to the specifications of "Reconcile pH", measured alkalinity also needs to be specified. Example input and description are given below.

{
    "group": "Calculation Options",
    "name": "CalcType",
    "value": "ReconcilePhAndAlkalinity"
},
{
    "group": "Calculation Options",
    "name": "AlkalinityPhTitrant",
    "value": "H2SO4"
},
{
    "group": "Properties",
    "name": "AlkalinityTitrationEndPointpH",
    "value": 4.5
},
{
    "group": "Properties",
    "name": "Alkalinity",
    "unit": "mg HCO3/L",
    "value": 600
},
{
    "group": "Properties",
    "name": "pH",
    "value": 10
},
{
    "group": "Calculation Options",
    "name": "PhAcidTitrant",
    "value": "HCL"
},
{
    "group": "Calculation Options",
    "name": "PhBaseTitrant",
    "value": "NAOH"
}

group

name

type of value

description

Calculation Options

CalcType

string

set to "ReconcilePhAndAlkalinity"

Calculation Options

AlkalinityPhTitrant

string

inflow name of alkalinity pH titrant

Properties

AlkalinityTitrationEndPointpH

number

endpoint pH in alkalinity measurement

Properties

Alkalinity

number

measured alkalinity value

Units for alkalinity can be found here.

Reconcile pH, alkalinity, and TIC

This option allows reconciling measured pH, alkalinity, and total inorganic carbon (TIC) simultaneously. In addition to the specifications of "Reconcile pH and alkalinity", measured TIC also needs to be specified. Example input and description are given below.

{
    "group": "Calculation Options",
    "name": "CalcType",
    "value": "ReconcilePhAndAlkalinityAndTic"
},
{
    "group": "Properties",
    "name": "TIC",
    "unit": "mol C/L",
    "value": 0.1
},
{
    "group": "Calculation Options",
    "name": "AlkalinityPhTitrant",
    "value": "H2SO4"
},
{
    "group": "Properties",
    "name": "AlkalinityTitrationEndPointpH",
    "value": 4.5
},
{
    "group": "Properties",
    "name": "Alkalinity",
    "unit": "mg HCO3/L",
    "value": 5000
},
{
    "group": "Properties",
    "name": "pH",
    "value": 5
},
{
    "group": "Calculation Options",
    "name": "PhAcidTitrant",
    "value": "HCL"
},
{
    "group": "Calculation Options",
    "name": "PhBaseTitrant",
    "value": "NAOH"
}

group

name

value (type)

description

Calculation Options

CalcType

string

set to "ReconcilePhAndAlkalinityAndTic"

Properties

TIC

number

measured Total Inorganic Carbon

Units for TIC can be found here.

Reconcile gas-phase CO2 content

In this calculation option, CO2 is added to reach measured gas phase CO2 content, with the rest of the gas phase filled with CH4. 

{
    "group": "Calculation Options",
    "name": "CalcType",
    "value": "ReconcileCo2Gas"
},
{
    "group": "Properties",
    "name": "CO2GasFraction",
    "unit": "mole %",
    "value": 5
}

group

name

type of value

description

Calculation Options

CalcType

string

set to "ReconcileCo2Gas"

Properties

CO2GasFraction

number

measured gas-phase CO2 content

Units for CO2GasFraction can be found here.

This option required CO2 and CH4 to be present in the chemistry model.

Response (status = PROCESSED)

{
    "code": 200,
    "data": {
        "result": {
            ...<snip>...
                "waterAnalysisOutput": {
                    "addedIonsToBalance": {
                    "values": {
                        "NASO4ION": 0.0,
                        "ACETATEION": 340.10765079501346,
                        "SO4ION": 0.0,
                        ...<snip>...
                    },
                    "unit": "mg/L"
                },
                "addedPhTitrants": [
                    {
                        "name": "NAOH",
                        "value": 7861.67985421445,
                        "unit": "mg/L"
                    }
                ],
                "alkalinity": {
                    "value": 4997.743719276631,
                    "unit": "mg HCO3/L"
                },
                "addedAlkalinityTitrant": {
                    "name": "ACETACID",
                    "value": 16960.960688946394,
                    "unit": "mg/L"
                },
                "addedTICTitrant": {
                    "name": "CO2",
                    "value": 4207.220494479175,
                    "unit": "mg/L"
                }
            }
        }
    }, 
    "message": "Results returned successfully", 
    "status": "PROCESSED"
}

The output of this calculation is the stream output which is common result output for all OLI's flash calculations or an error. In addition to this output the result also contains the water analysis output information and can be conveniently retrieved from the data.result.waterAnalysisOutput object. A description of this object is given below.

data.result.waterAnalysisOutput

type

description

addedIonsToBalance

ions that were added to maintain electronuetrality

addedPhTitrants

amount of titrant added to reconcile pH

alkalinity

calculated alkalinity value

addedAlkalinityTitrant

amount of titrant to reconcile alkalinity

addedTICTitrant

amount of titrant added to reconcile TIC

Survey Calculation

Survey calculation is supported for the variables below. Please refer to Survey calculation for explained input schema.

supported params.surveyInputs[{}].field

"/params/waterAnalysisInputs/i/value" where i is the index (0 based) of params.waterAnalysisInputs variable object to be surveyed

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