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.
Temperature (T):         K

Pressure Factor (P):    X

Buffer/Compound:  
Formula Expansion:

Rate Model: R = k * [R1]X * [R2]Y * [R3]Z; k = A e-Ea/RT
X  Y  Z  k  A  Ea
Select Reactants/Products Search/select species using dropdown lists or choose a pre-defined reaction from Stoichiometric Coefficients
Initial Composition Units Exclude Pure Solids/Liquids from Reaction Quotient
Reactant #1 (R1)
Reactant #2 (R2)
Reactant #3 (R3)
Product #1 (P1)
Product #2 (P2)
Product #3 (P3)

                            



Equation:
+ + <--->   + +
Thermodynamics:  (@ T = 298.15  K)
Standard Enthalpy of Formation and Entropy fHo(T) (KJ/mol) So(T) (J/mol.K)
    
Reaction Thermodynamics & Equilibrium Value
Standard enthalpy change, ∆rHo(T)  KJ
Standard entropy change, ∆So(T)  KJ
Standard reaction free energy change, ∆rGo(T)  KJ
Reaction free energy change at initial composition, ∆rG(T)  KJ
Equilibrium constant, K
Temperature range for data K





















Data sources:

Simulated Final State:  (@ T = 298.15  K ; P = 1.0 X)
Reactants, Products Final Composition Pressure- adjusted Composition Units
Simulated Kinetics (composition over time): 
Time (seconds)R1R2R3P1P2P3
0.00001.00000E+0001.00000E+0000.00000E+0000.00000E+0000.00000E+0000.00000E+000
13.31296.66667E-0019.08366E-0090.00000E+0006.66667E-0016.66667E-0010.00000E+000
26.62396.66667E-0011.73307E-0160.00000E+0006.66667E-0016.66667E-0010.00000E+000
39.93716.66667E-0013.29662E-0240.00000E+0006.66667E-0016.66667E-0010.00000E+000
53.24816.66667E-0016.28964E-0320.00000E+0006.66667E-0016.66667E-0010.00000E+000
66.55916.66667E-0011.20000E-0390.00000E+0006.66667E-0016.66667E-0010.00000E+000
79.87016.66667E-0012.28949E-0470.00000E+0006.66667E-0016.66667E-0010.00000E+000
93.18346.66667E-0014.35502E-0550.00000E+0006.66667E-0016.66667E-0010.00000E+000
106.49446.66667E-0018.30897E-0630.00000E+0006.66667E-0016.66667E-0010.00000E+000
119.80546.66667E-0011.58527E-0700.00000E+0006.66667E-0016.66667E-0010.00000E+000
133.11646.66667E-0013.02455E-0780.00000E+0006.66667E-0016.66667E-0010.00000E+000

Reactant Half Life (seconds)

 


















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