chem-equilibrium 2.2.0 | Documentation

▸ new constructor(model, options)

new constructor(model: object, options: object)

Parameters

model (object) amounts can be though as if they were concenrations.

Name Description

model.components Array<object> The equilibrium's independent components. Each object in the array requires a label property and either a total property (for total amount) or an atEquilibrium property (for fixed final amount). The label property should be a unique name for that specie

model.formedSpecies Array<object> The list of species that are formed from the components. Each object in the array requires a label property, a beta property and a components property. The component property should be an array of numbers with the stoechiometric coefficient of each component using the order in which the components where specified. The beta property should be a number with the formation constant of this specie. The label property should be a unique name for that specie.

Name	Description
model.components `Array<object>`	The equilibrium's independent components. Each object in the array requires a label property and either a total property (for total amount) or an atEquilibrium property (for fixed final amount). The label property should be a unique name for that specie
model.formedSpecies `Array<object>`	The list of species that are formed from the components. Each object in the array requires a label property, a beta property and a components property. The component property should be an array of numbers with the stoechiometric coefficient of each component using the order in which the components where specified. The beta property should be a number with the formation constant of this specie. The label property should be a unique name for that specie.

options (object) Additional options

Name	Description
options.volume `number?` (default `1`)	Volume of the solution in which the equilibrium occurs. If this value is 1 then
options.robustMaxTries `number?` (default `15`)	Maximum tries when using solveRobust .
options.random `function?` (default `Math.random`)	Random number generator to use when initializing concentrations

▸ setInitial(init)

src/core/Equilibrium.js

Set initial concentration of components

setInitial(init: object)

Parameters

init (object) Object where the key is the label of the component and the value is the initial amount (in moles) of this components.

▸ solve()

src/core/Equilibrium.js

Solve the model. Initial concentrations set with setInitial will be used as the starting points of the optimization algorithm.

solve(): object

Returns

object: An Object with as many properties as there are species. The key is the label of the specie, and the value is the concentration at equilibrium of this specie.

▸ solveRobust()

src/core/Equilibrium.js

Solve the model robustly. Does not take into account initial concentrations set with setInitial Random initialization concentrations are used until the optimization algorithm converges. The number of tries is set at instanciation with robustMaxTries

solveRobust(): (object | null)

Returns

(object | null): An Object with as many properties as there are species. The key is the label of the specie, and the value is the concentration at equilibrium of this specie.