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Estimates final conversion based on component equilibrium data and reaction stoichiometry
Select conversion
The Gibbs minimization reactor is a simplified reactor model for which the reaction
equilibrium is calculated by minimizing the Gibbs free energy (at specified temperature and
pressure) or maximizing entropy (at specified pressure and heat duty).
Gibbs Reactor
After setting up the Gibbs reactor, input the following operating conditions and reactor
specifications:
Temperature
Pressure
Thermal mode
Reaction phase
ChemCAD outputs:
Temperature
Pressure
Composition
Heat of Reaction (inerts that take up heat can be taken into account)
Advantages
Allows all potential reaction to happen by employing an element matrix (ChemCAD generated)
and then minimizes the Gibbs free energy of the products to obtain output compositions and
conditions
Disadvantages
Relies heavily on the specified thermal mode and thermodynamic model, but it is not clear how
close the actual reaction comes to equilibrium
Reactive distillation is a process where the chemical reactor is also the still. Separation
of the product from the reaction mixture does not need a separate distillation step,
which saves energy (for heating) and materials.
Increased speed
Lower costs reduced equipment use, energy use and handling
Less waste and fewer byproducts
Improved product quality reducing opportunity for degradation because of less heat
This K-value method is for modeling the vapor-liquid equilibrium of compounds dissolved in
water using partial pressures to calculate the equilibrium of the solute.
Gibbs free energy is a thermodynamic potential that can be used to calculate the maximum of
reversible work that may be performed by a thermodynamic system at a
constant temperature and pressure (isothermal, isobaric).
Activation energy may also be defined as the minimum energy required to start a chemical reaction.
The activation energy of a reaction is usually denoted by Ea and given in units of kilojoules per
mole (kJ/mol) or kilocalories per mole (kcal/mol).
frequency factor: in the Arrhenius equation, a constant indicating how many collisions
have the correct orientation to lead to products