Constructor
new ReactionKinetics(species, coefficients)
Parameters:
| Name | Type | Description |
|---|---|---|
species |
Array | The species involved in the reaction. |
coefficients |
Array | The coefficients of the species in the species Vector. |
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Methods
add(other) → {Reaction}
Adds a Reaction to this reaction. If the sum of these two is a valid reaction (there is both a reactant and a product present) then a new Reaction will be returned. Else, null will be returned.
ASSUMPTION: All reactions are normalized. I.E., there is never the case that the same species is both a reactant and a product.
Parameters:
| Name | Type | Description |
|---|---|---|
other |
Reaction | the other reaction to be added |
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Returns:
if valid, else null
- Type
- Reaction
cloneCoefficients() → {Array}
Returns a copy, not a reference, of the coefficients in this reaction
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Returns:
coefficient a copy of coefficients in this reaction
- Type
- Array
cloneSpecies() → {Array}
Returns a copy, not a reference, of the species in this reaction
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Returns:
specie a copy of species in this reaction
- Type
- Array
equals(other) → {Boolean}
Checks the equality between two reactions. ASSUMPTION: There cannot exist another reaction with the same species, but different coefficients.
Parameters:
| Name | Type | Description |
|---|---|---|
other |
Object |
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Returns:
returnValue
- Type
- Boolean
evaluateBetweenSolids() → {Boolean}
Evaluates if the reactions includes only solid species
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Returns:
isBetweenSolids
- Type
- Boolean
getCoefficientAt(index) → {Number}
Returns the coefficient of the species at the specified index.
Parameters:
| Name | Type | Description |
|---|---|---|
index |
Number |
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Returns:
- Type
- Number
getGo(temp) → {Number}
This returns the standard Gibb's Free energy of the reaction, for use in calculating K.
Parameters:
| Name | Type | Description |
|---|---|---|
temp |
Number | the temperature |
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Returns:
- Type
- Number
getHeatCapacity() → {Number}
Returns the specific heat for the reaction in J/K/mol.
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Returns:
- Type
- Number
getHo() → {Number}
Returns the standard Enthalpy for the reaction.
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Returns:
- Type
- Number
getK(temperature) → {Number}
Returns the K of the reaction for the given temperature.
Parameters:
| Name | Type | Description |
|---|---|---|
temperature |
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Returns:
- Type
- Number
getOverlappingCoefficients(other) → {Array}
Searches for an overlapping species in the other Reaction, and if it finds one, we return the coefficients.
If there is an overlap, we return two Doubles per overlap, the first being the coefficient of our overlapping species, and the second being the coef of the other reaction.
If there is no overlap, null will be returned.
Parameters:
| Name | Type | Description |
|---|---|---|
other |
Reaction |
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Returns:
returnValue
- Type
- Array
getProducts() → {Array}
Returns the products.
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Returns:
- Type
- Array
getRateConstant()
Returns the rate constant for a reaction at a given temperature
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getReactants() → {Array}
Returns the reactants.
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Returns:
- Type
- Array
getSo() → {Number}
Returns the standard Entropy of the reaction.
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Returns:
- Type
- Number
getSpeciesAt(index) → {Species}
Returns the species specified at the given index.
Parameters:
| Name | Type | Description |
|---|---|---|
index |
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Returns:
- Type
- Species
getSpeciesCount() → {Number}
Returns the number of the species in the Reaction.
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Returns:
- Type
- Number
getSpeciesIndex(specie) → {Number}
Returns the index of the specified Species. This method will return -1 if the Species is not present in this reaction.
Parameters:
| Name | Type | Description |
|---|---|---|
specie |
Species | the specie we are looking for |
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Returns:
- Type
- Number
reverseReaction() → {Reaction}
Returns a new reaction that represents the reverse of this reaction, as computed by converting all reactants to products, and all products to reactants.
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Returns:
- Type
- Reaction
scale(factor) → {Reaction}
Returns a new reaction, scaled by the given factor.
Parameters:
| Name | Type | Description |
|---|---|---|
factor |
Number |
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Returns:
the new scaled reaction
- Type
- Reaction
setCoefficientAt(coef, index)
Stores the provided coefficient for the species at the given index.
Parameters:
| Name | Type | Description |
|---|---|---|
coef |
Number | |
index |
Number |
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setSpeciesAt(specie, index)
Stores the referenced specie at the given index. The previous specie at that index is discarded.
Parameters:
| Name | Type | Description |
|---|---|---|
specie |
Species | |
index |
Number |
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toString() → {String}
Returns the String representation of this Reaction.
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Returns:
returnValue
- Type
- String