Chemical Reactions

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The Wolfram|Alpha Chemistry Team
A
ChemicalReaction
describes how molecular entities interact with each other. The heart of chemistry is the study of chemical reactions and the daily focus of many chemists the world over.
Build the chemical reaction for the combustion of ethylene:
In[]:=
ChemicalReaction
ethylene
CHEMICAL
,
oxygen
CHEMICAL
->
water
CHEMICAL
,
carbon dioxide
CHEMICAL

Out[]=
ChemicalReaction
C
H
2
=C
H
2
+
O
2
⟶
H
2
O
+
C
O
2

Create a chemical reaction from a string:
In[]:=
ChemicalReaction["Na(s) + H2O(l) -> NaOH(s) + H2(g)"]
Out[]=
ChemicalReaction
Na
(s)
+
H
2
O
(l)
⟶
NaOH
(s)
+
H
2
(g)

Use
ReactionBalance
to generate the chemical reaction equations used in many chemical computations.
Balance a reduction-oxidation (redox) reaction:
In[]:=
redox=ReactionBalance["HIO3 + FeI2 + HCl -> FeCl3 + ICl + H2O"]
Out[]=
ChemicalReaction
5HI
O
3
+
4Fe
I
2
+
25HCl
⟶
4Fe
Cl
3
+
13ICl
+
15
H
2
O

Get the stoichiometric coefficients from the balanced reaction:
In[]:=
redox["ReactantCounts"]​​redox["ProductCounts"]
Out[]=

HI
O
3
5,
Fe
I
2
4,
HCl
25
Out[]=

Fe
Cl
3
4,
ICl
13,
H
2
O
15
The properties of the chemical reaction for the formation of water from oxygen and hydrogen:
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Property
Value
Reactants

hydrogen
,
oxygen

ReactantCounts

hydrogen
1,
oxygen
1
ReactantCount
2
Products

water

ProductCounts

water
1
ProductCount
1
ReactionRule

hydrogen
1,
oxygen
1
water
1
ReverseReaction
ChemicalReaction
H
2
O
⟶
H
2
+
O
2

Equation
H
2
+
O
2
⟶
H
2
O
EquationString
H2 + O2 ⟶ H2O
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