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 | 0.00000E+000 | 0.00000E+000 | 0.00000E+000 | 0.00000E+000 | 0.00000E+000 |
| 100.0010 | 4.96517E-003 | 0.00000E+000 | 0.00000E+000 | 9.95035E-001 | 9.95035E-001 | 4.97517E-001 |
| 200.0079 | 2.48869E-003 | 0.00000E+000 | 0.00000E+000 | 9.97511E-001 | 9.97511E-001 | 4.98756E-001 |
| 300.5447 | 1.65757E-003 | 0.00000E+000 | 0.00000E+000 | 9.98342E-001 | 9.98342E-001 | 4.99171E-001 |
| 400.3327 | 1.24491E-003 | 0.00000E+000 | 0.00000E+000 | 9.98755E-001 | 9.98755E-001 | 4.99378E-001 |
| 500.0793 | 9.96847E-004 | 0.00000E+000 | 0.00000E+000 | 9.99003E-001 | 9.99003E-001 | 4.99502E-001 |
| 600.1113 | 8.30822E-004 | 0.00000E+000 | 0.00000E+000 | 9.99169E-001 | 9.99169E-001 | 4.99585E-001 |
| 700.2155 | 7.12130E-004 | 0.00000E+000 | 0.00000E+000 | 9.99288E-001 | 9.99288E-001 | 4.99644E-001 |
| 800.8004 | 6.22739E-004 | 0.00000E+000 | 0.00000E+000 | 9.99377E-001 | 9.99377E-001 | 4.99689E-001 |
| 901.2650 | 5.53360E-004 | 0.00000E+000 | 0.00000E+000 | 9.99447E-001 | 9.99447E-001 | 4.99723E-001 |
| 1000.0000 | 9.27688E-033 | 0.00000E+000 | 0.00000E+000 | 1.00000E+000 | 1.00000E+000 | 5.00000E-001 |
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Reactant |
Half Life (seconds) |
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