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
0.07889.21234E-0019.21234E-0010.00000E+0001.57532E-0010.00000E+0000.00000E+000
0.15738.42749E-0018.42749E-0010.00000E+0003.14501E-0010.00000E+0000.00000E+000
0.23527.64805E-0017.64805E-0010.00000E+0004.70390E-0010.00000E+0000.00000E+000
0.31356.86473E-0016.86473E-0010.00000E+0006.27054E-0010.00000E+0000.00000E+000
0.39246.07594E-0016.07594E-0010.00000E+0007.84813E-0010.00000E+0000.00000E+000
0.47025.29767E-0015.29767E-0010.00000E+0009.40466E-0010.00000E+0000.00000E+000
0.54864.51402E-0014.51402E-0010.00000E+0001.09720E+0000.00000E+0000.00000E+000
0.62713.72882E-0013.72882E-0010.00000E+0001.25424E+0000.00000E+0000.00000E+000
0.70552.94460E-0012.94460E-0010.00000E+0001.41108E+0000.00000E+0000.00000E+000
0.78362.16370E-0012.16370E-0010.00000E+0001.56726E+0000.00000E+0000.00000E+000

Reactant Half Life (seconds)

 


















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