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+000 | 1.00000E+000 | 0.00000E+000 | 0.00000E+000 | 0.00000E+000 | 0.00000E+000 |
| 0.2815 | 8.33685E-001 | 5.01056E-001 | 0.00000E+000 | 3.32629E-001 | 0.00000E+000 | 0.00000E+000 |
| 0.5611 | 7.64798E-001 | 2.94394E-001 | 0.00000E+000 | 4.70404E-001 | 0.00000E+000 | 0.00000E+000 |
| 0.8403 | 7.28263E-001 | 1.84790E-001 | 0.00000E+000 | 5.43473E-001 | 0.00000E+000 | 0.00000E+000 |
| 1.1207 | 7.06630E-001 | 1.19890E-001 | 0.00000E+000 | 5.86740E-001 | 0.00000E+000 | 0.00000E+000 |
| 1.4007 | 6.93145E-001 | 7.94362E-002 | 0.00000E+000 | 6.13709E-001 | 0.00000E+000 | 0.00000E+000 |
| 1.6813 | 6.84423E-001 | 5.32690E-002 | 0.00000E+000 | 6.31154E-001 | 0.00000E+000 | 0.00000E+000 |
| 1.9613 | 6.78682E-001 | 3.60450E-002 | 0.00000E+000 | 6.42637E-001 | 0.00000E+000 | 0.00000E+000 |
| 2.2408 | 6.74846E-001 | 2.45372E-002 | 0.00000E+000 | 6.50309E-001 | 0.00000E+000 | 0.00000E+000 |
| 2.5208 | 6.72251E-001 | 1.67537E-002 | 0.00000E+000 | 6.55498E-001 | 0.00000E+000 | 0.00000E+000 |
| 2.8004 | 6.70491E-001 | 1.14736E-002 | 0.00000E+000 | 6.59018E-001 | 0.00000E+000 | 0.00000E+000 |
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Reactant |
Half Life (seconds) |
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