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Data Description
| Data | Unit | Description | ||
| Set | Item | Type | Native | |
| Equipment Properties | Equation | aA + bB -> cC + dD Example 1: OH- + H+ -> H2O Example 2: H+ -> H2O |
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| Extent of reaction | Fraction or percentage | Fraction | The reaction conversion fraction. | |
| Heat of reaction | Enthalpy | BTU/lb | The amount of energy gain (or loss) caused by the reaction. | |
Equipment Properties
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Example of using equipment
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Method&Equations
Option 1
All reactants and products are represented in the equation.
The model determines the flow rate of products and reactants as:
PRDOUT = PRDIN + RCTIN * FRAC / BETA
RCTOUT = RCTIN - RCTIN * FRAC / BETA
where:
PRDOUT is the mass flow of the product in the outlet
PRDIN is the mass flow of the product in the inlet
RCTIN is the mass flow of the reactant in the inlet
RCTOUT is the mass flow of the reactant in the outlet
FRAC is the fraction of inlet reactant converted to product
BETA is the excess coefficient of each reactant – for the limitative one will be 1 for the co-reactants higher than 1
The model also determines the outlet enthalpy by applying the heat of reaction:
ENTHOT = ((ENTHIN * FLOWIN) + (HREACT * RCTIN * FRAC / BETA)) / FLOWOT
where:
ENTHOT is the specific enthalpy of the outlet stream
ENTHIN is the specific enthalpy of the inlet stream
FLOWIN is the total inlet stream flow rate
HREACT is the heat of reaction
FLOWOT is the total outlet stream flow rate
The outlet stream temperature and vapor fraction are determined from the outlet stream's specific enthalpy and pressure.
Option 2
Only key components are represented in the equation.
Energy and mass balance will not be closed.
Warnings
Errors
Unknown Reactant – "reactant"!