Container

Chemical Reactor Design Toolbox Reference Manual

ChemReactorDesign.Basic.Liquid.Volumes.Container

Description

The component represents an variable liquid volume in a solid container.

Mass Balance

$\begin{equation*} \frac{dn_{i}}{dt} = F_{i} \end{equation*}$

initial conditions

$\begin{equation*} n_{i}(t=0) = c_{i_{0}} \, V_{0} \quad \text{for} \quad i=1,\dots,N \end{equation*}$

with

$\begin{equation*} \displaystyle c_{i_{0}} = \frac{x_{i_{0}}}{\overline{V}_{N}(T_{0}) + \sum\limits_{k=1}^{N-1} x_{k} \big( \overline{V}_{i}(T_{0}) - \overline{V}_{N}(T_{0}) \big)} \end{equation*}$

For details see getConc.

Energy Balance

$\begin{equation*} \sum_{i}^{N} F_{i} \, {\overline H}_{i}(T) + \left( \sum_{i}^{N} n_{i} \, c_{p_{i}}(T) + m^{S} \, c_{p}^{S} \right) \, \frac{dT}{dt} = \Phi + \dot{Q} \end{equation*}$

with initial condition

$\begin{equation*} T(t=0) = T_{0} \end{equation*}$

Equation of State

Pressure

The pressure at the port is the sum of internal and potential pressure

$\begin{equation*} p_{A} = p + \rho \, g \, \left( \frac{V}{A_{0}}+h_{0} \right) \end{equation*}$

with

$\begin{equation*} \rho = \frac{\sum\limits_{i}^{N} n_{i} \, M_{i}}{V} \end{equation*}$

The internal pressure is either given by a component parameter or set by a physical input signal which may even be time variant (see Assumptions).

$\begin{equation*} p = \left\{ \begin{array}{lcl} p_{0} \quad \text{or} \\ p_{in}(t) & & \end{array} \right. \end{equation*}$

Volume

$\begin{equation*} \frac{dV}{dt} = \sum_{i}^{N} {\overline V}_{i}(T) \, F_{i} \end{equation*}$

with

$\begin{equation*} V(t=0) = V_{0} \end{equation*}$

Variables

To adjust the nominal values for the component variables use the Nominal Values tab in the dialogue box.

Assumptions and Limitations

The time response of the pressure input signal is assumed to be much slower than the dynamics of the balance component. Thus the internal pressure is regarded as approximately constant.
The heat capacity of the solid phase is regarded as independent of temperature.

Ports

Conserving

Liquid conserving port
```
Port_A = Liquid;  %
```
Liquid conserving port
```
Port_B = Liquid;  %
```
The port is only visible when the option enable2ndPort is set to On.
Thermal conserving port
```
Port_C = foundation.thermal.thermal;  %
```
Dependencies: The port is only visible when isothermalOperation is set to Off.

Input

Physical signals that controls the volume.
```
pin = {1,'bar'}; % p
```
Dependencies: The port is only visible when pressureInput is set to On.

Output

Physical signal that represents the current volume
```
Vout = {0,'l'}; % V
```
Dependencies: The port is only visible when volumeOutput is set to On.

Parameters

Options

Option to select thermal behaviour of the volume.
```
isothermalOperation = OnOff.On;  
```
Off | On
Option to select volume output
```
volumeOutput = OnOff.Off; 
```
On | Off
Option to consider hydrostatic pressure
```
hydrostaticPressure = OnOff.Off;
```
Option to enable 2nd Port
```
enable2ndPort = OnOff.Off; 
```

Geometry

Initial Volume
```
V0 = {1,'l'};       % Volume
```
Cross Sectional Area
```
A0 = {10,'cm^2'};
```
Geodetic Height
```
h0 = {0,'m'}; 
```

Operation Conditions

Initial mole fractions
```
x0 = {[0;1],'1'};  
```
Note Initially only two species are considered. As the number of species can be changed via the properties dialogue, the size of the array must be adjusted accordingly.
Initial pressure
```
p0 = {1.0,'bar'};   % Initial Pressure
```

Initial Temperature

T0 = {298.15,'K'};  % Initial Temperature

Solid Properties

Solid Mass
```
mSolid = {0,'g'}; % Mass
```

Solid Heat Capacity

cpSolid = {0,'kJ/(kg*K)'}; % Specific Heat

Nominal Values

Nominal Value for Number of Moles
```
n_nom = {1,'mol'};
```

Nomenclature

$A_{0}$	cross sectional area
$c_{i}$	molar concentration of species A_i
$c_{p_{i}}$	specific heat for species A_i
$c_{p}^{S}$	specific heat of solid
$F_{i}$	molar flow rate of species A_i
$h_{0}$	geodetic height
${\overline H}_{i}(T)$	molar enthalpy of species A_i
$M_{i}$	molar weight of species A_i
$N$	total number of species
$m^{S}$	solid mass
$n_{i}$	number of moles of species A_i
$p$	pressure
$p_{0}$	initial pressure
$p_{ext}$	external pressure
$Q$	heat flow rate (independent of fluid flow)
$R$	universal gas constant
$t$	time
$T$	temperature
$T_{0}$	initial temperature
$V_{0}$	volume
${\overline V}_{i}$	molar volume of species A_i
$x_{i}$	mole fraction of species A_i
$x_{i_{0}}$	initial mole fraction of species A_i
$\Phi$	energy flow rate