ChemReaX - a chemical reaction modeling and simulation app from ScienceBySimulation

Temperature (T): K

Pressure Factor (P): X

Select Ionization Reaction
Buffer/Compound:
Formula Expansion:

Specify Reaction Rate Parameters
Rate Model: R = k * [R1]^X * [R2]^Y * [R3]^Z
k X Y Z

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	∆_fH^o(T) (KJ/mol)	S^o(T) (J/mol.K)

Reaction Thermodynamics & Equilibrium	Value
Standard enthalpy change, ∆_rH^o(T)	KJ
Standard entropy change, ∆S^o(T)	KJ
Standard reaction free energy change, ∆_rG^o(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):

Reactant Half Life (seconds)