Quick steps: • Click “Reaction Selector” to select a pre-defined reaction (or choose your own reactants/products and click "Balance") • Enter the initial composition (molar concentrations or partial pressures). • Enter a temperature (200K-5000K). • Optionally specify reaction rate parameters •
Click “Run the Reaction” to simulate the reaction.
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Select Reactants/Products |
Search/select species using dropdown lists or choose a pre-defined reaction from
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Stoichiometric Coefficients
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Initial Composition |
Units |
Exclude Pure Solids/Liquids from Reaction Quotient |
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Reactant #1 (R1) |
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Reactant #2 (R2) |
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Reactant #3 (R3) |
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Product #1 (P1) |
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Product #2 (P2) |
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Product #3 (P3) |
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Equation:
Thermodynamics:
(@ T =
298.15
K)
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Standard Enthalpy of Formation and Entropy |
∆fHo(T)
(KJ/mol) |
So(T) (J/mol.K) |
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Reaction Thermodynamics & Equilibrium |
Value |
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Standard enthalpy change, ∆rHo(T) |
KJ |
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Standard entropy change, ∆So(T) |
KJ |
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Standard reaction free energy change, ∆rGo(T) |
KJ |
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Reaction free energy change at initial composition, ∆rG(T) |
KJ |
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Equilibrium constant, K |
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Temperature range for data |
K |
Data sources:
Simulated Final State:
(@ T =
298.15
K ; P =
1.0 X)
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Reactants, Products |
Final Composition |
Pressure- adjusted Composition |
Units |
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Simulated Kinetics (composition over time):
| Time (seconds) | R1 | R2 | R3 | P1 | P2 | P3 |
| 0.0000 | 1.00000E+001 | 2.00000E+000 | 0.00000E+000 | 1.00000E-001 | 0.00000E+000 | 0.00000E+000 |
| 0.0041 | 9.46544E+000 | 9.30887E-001 | 0.00000E+000 | 6.34557E-001 | 0.00000E+000 | 0.00000E+000 |
| 0.0081 | 9.22959E+000 | 4.59175E-001 | 0.00000E+000 | 8.70413E-001 | 0.00000E+000 | 0.00000E+000 |
| 0.0122 | 9.11623E+000 | 2.32467E-001 | 0.00000E+000 | 9.83766E-001 | 0.00000E+000 | 0.00000E+000 |
| 0.0162 | 9.05944E+000 | 1.18876E-001 | 0.00000E+000 | 1.04056E+000 | 0.00000E+000 | 0.00000E+000 |
| 0.0203 | 9.03058E+000 | 6.11551E-002 | 0.00000E+000 | 1.06942E+000 | 0.00000E+000 | 0.00000E+000 |
| 0.0243 | 9.01583E+000 | 3.16505E-002 | 0.00000E+000 | 1.08417E+000 | 0.00000E+000 | 0.00000E+000 |
| 0.0284 | 9.00817E+000 | 1.63478E-002 | 0.00000E+000 | 1.09183E+000 | 0.00000E+000 | 0.00000E+000 |
| 0.0324 | 9.00424E+000 | 8.47768E-003 | 0.00000E+000 | 1.09576E+000 | 0.00000E+000 | 0.00000E+000 |
| 0.0365 | 9.00219E+000 | 4.38758E-003 | 0.00000E+000 | 1.09781E+000 | 0.00000E+000 | 0.00000E+000 |
| 0.0405 | 9.00114E+000 | 2.27532E-003 | 0.00000E+000 | 1.09886E+000 | 0.00000E+000 | 0.00000E+000 |
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Reactant |
Half Life (seconds) |
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