Domain

Chemical Reactor Design Toolbox Reference Manual

ChemReactorDesign.Basic.Liquid.Domain

Description

The liquid domain represents a mixture of $N$ individual species with $N \in \left[ 2 \, \dots \infty \right]$ . Every species is characterized by an unique identifier.

The caloric properties of the pure species are calculated via lookup tables in terms of temperature as provided by the user.

Parameters

Thermodynamic model
```
model = ThermodynamicModel.Ideal; 
```
Number of species
```
N  = {2,'1'};
```
Species Identifiers
```
Ids = {[1;2],'1'};
```
Molecular Weights
```
Mw = {zeros(N,1),'g/mol'};
```
Charges
```
charge = {zeros(N,1),'1'};
```
Temperature Table
```
table_T = {[273,400],'K'};
```
Molar Volume Table
```
table_Vm = {zeros(2,N),'l/mol'};
```
Specific Heats Table
```
table_cp = {zeros(2,N),'J/(mol*K)'};
```
Enthalpy Table
```
table_H = {zeros(2,N),'kJ/mol'};
```
Gibbs Energy Table
```
table_G = {zeros(2,N),'kJ/mol'};
```
Dynamic Viscosities Table
```
table_mu = {zeros(2,N),'Pa*s'};
```
Heat Conductivity Table
```
table_lambda = {zeros(2,N),'W/(m*K)'};
```
Heat of Vaporization Table
```
table_Hv = {zeros(2,N),'kJ/mol'};
```
Vapor Pressure Table
```
table_pvap = {zeros(2,N),'Pa'};
```
Universal Gas Constant
```
R = {8.3143,'J/(mol*K)'};
```
Reference Temperature
```
Tref = {298.15,'K'};
```
Faraday Constant
```
Far = {9.6485e+04,'A*s/mol '}; 
```
Acceleration of Gravity
```
g = {9.81,'m/s^2'};
```
Interaction Parameters A
```
A = {eye(N,N),'cal/mol'}; 
```
NRTL Interaction Parameter $\alpha$
```
alpha = {zeros(N,N),'1'};
```
Nominal Value for Molar Flow Rate
```
F_nom = {1.0e-06,'mol/s'};
```
Nominal Value for Energy Flow Rate
```
Phi_nom = {1.0,'W'};
```
Nominal Value for Heat Flow Rate
```
Q_nom = {1.0,'W'};
```
Nominal Value for Enthalpies
```
H_nom = {1.0e+02,'kJ/mol'};
```

Variables

Across Variables

Mole Fractions

x = {value={zeros(N-1,1),'1'},imin={0,'1'},imax={1,'1'}};

Pressure
```
p = {value={1.0,'bar'}};
```
Temperature
```
T = {value={298.15,'K'},imin={0,'K'}};
```

Molar Enthalpies

H = {value={zeros(N,1),'kJ/mol'},nominal=H_nom};

Activity Coefficients

gamma = {value={ones(N,1),'1'},imin={0,'1'}};

Through Variables

Molar flow rates
```
F = {zeros(N,1),'mol/s'};
```
Energy flow rate
```
Phi = {0,'W'};
```