Domain

Chemical Reactor Design Toolbox Reference Manual

ChemReactorDesign.Basic.Gas.Domain

Description

The gas 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.IdealGas; 
```
Number of species
```
N  = {2,'1'};
```
Species Identifiers
```
Ids = {[1;2],'1'};
```
Molecular Weights
```
Mw = {zeros(N,1),'g/mol'};
```
Diffusion Volumes after Fuller et al.(Robert C. Reid and John M. Prausnitz and Thomas K. Sherwood, 1977).
```
Dv = {zeros(N,1),'1'};
```
Temperature Table
```
table_T = {[273,400],'K'};
```
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)'};
```
Universal Gas Constant
```
R = {8.3143,'J/(mol*K)'};
```
Acceleration of Gravity
```
g = {9.81,'m/s^2'};
```
Reference Pressure
```
pref = {1,'bar'};
```
Reference Temperature
```
Tref = {298.15,'K'};
```
Critical Pressures
```
pc = {ones(N,1),'bar'};
```
Critical Temperatures
```
Tc = {298.15*ones(N,1),'K'};
```
Acentricity Factors
```
omega = {ones(N,1),'1'};
```
Interaction Coefficients for EOS
```
k0 = {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'};
```
Nominal Value for Departure Enthalpy
```
Hres_nom = {1.0,'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};

Residual Mixture Enthalpy

Hres = {value={0,'kJ/mol'},nominal=Hres_nom};

Fugacity Coefficients

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

Compressibility

z = {value={1,'1'},imin={0,'1'},imax={1,'1'}};

Through Variables

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

Bibliography

Robert C. Reid and John M. Prausnitz and Thomas K. Sherwood (1977). The Properties of Gases and Liquids, Mc Graw-Hill Book Company.