Class: ReactionNodeKinetics

ReactionNodeKinetics(reactionTemplate, speciesNodes)

Creates a new ReactionNode from the template and SpeciesNodes. It is required that the SpeciesNodes within the Vector of nodes provided correspond exactly to the Vector of species within the Reaction.

Constructor

new ReactionNodeKinetics(reactionTemplate, speciesNodes)

Parameters:
Name Type Description
reactionTemplate Reaction
speciesNodes Array
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Members

archetype :Reaction

Type:
  • Reaction
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Methods

equals(other) → {Boolean}

Determines whether a ReactionNode is equal by comparing the template.

Parameters:
Name Type Description
other
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Returns:
Type
Boolean

f(dX) → {Number}

Evaluates the equilibrium when the reaction advances by the argument double and returns a measure of the difference between it's current value and its equilibrium value.

Parameters:
Name Type Description
dX Number
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Returns:
Type
Number

getSolvent() → {Solution}

Returns a reference to the solution that this reactionNode is in.

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Returns:
Type
Solution

getSpeciesNodeAt(index) → {SpeciesNode}

Returns the species node at the specified index. This species node will correspond to the Reaction archetype's species at the same index.

Parameters:
Name Type Description
index
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Returns:
Type
SpeciesNode

iteration(constantTemperature, dTopt) → {number}

Brings the solution to equilibrium.

Parameters:
Name Type Attributes Default Description
constantTemperature boolean

Keep temperature constant during the iteration
dT number | null <optional>
 null

The difference in time (in seconds) since previous equilibrium-needed for reactions using kinetics
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Returns:
Type
number

setRangeOfX()

Computes the maximum amount forwards and backwards that the reaction can progress, and stores these values in the variables xLow & xHigh. When both sides are finite, these values are computed via limiting reagents. However, if either side is infinite, then we are bound by LeChatlier's principle.

This method will update the cached XConcentrations.

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setXMolesAt(index, value)

Sets the concentration (relative to the specie's coefficient) for the species at the specified index.

Parameters:
Name Type Description
index
value
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shift(dX)

Advances the reaction by the argument double.

Parameters:
Name Type Description
dX
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toString()

Converts the ReactionNode into a String.

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