line breaks adjusted in readme
This commit is contained in:
parent
360683a633
commit
ddd543abf0
25
README.md
25
README.md
|
@ -62,7 +62,8 @@ fl.get_density(t=t_range, p=1e5)
|
||||||
```
|
```
|
||||||
array([0.10122906, 0.09574625, 0.09082685, 0.08638827, 0.08236328])
|
array([0.10122906, 0.09574625, 0.09082685, 0.08638827, 0.08236328])
|
||||||
```
|
```
|
||||||
A ```fluid``` object can have multiple compositions. A multidimensional ```fluid``` object can be created for example by multiplication with a numpy array:
|
A ```fluid``` object can have multiple compositions. A multidimensional ```fluid``` object
|
||||||
|
can be created for example by multiplication with a numpy array:
|
||||||
|
|
||||||
``` python
|
``` python
|
||||||
fl2 = gp.fluid({'H2O': 1, 'N2': 2}) + \
|
fl2 = gp.fluid({'H2O': 1, 'N2': 2}) + \
|
||||||
|
@ -125,7 +126,8 @@ array([[[0. , 0.5 , 0.5 ],
|
||||||
```
|
```
|
||||||
|
|
||||||
### Elements
|
### Elements
|
||||||
In some cases not the molecular but the atomic composition is of interest. The ```elements``` class can be used for atom based balances and works similar:
|
In some cases not the molecular but the atomic composition is of interest.
|
||||||
|
The ```elements``` class can be used for atom based balances and works similar:
|
||||||
|
|
||||||
``` python
|
``` python
|
||||||
el = gp.elements({'N': 1, 'Cl': 2})
|
el = gp.elements({'N': 1, 'Cl': 2})
|
||||||
|
@ -134,7 +136,9 @@ el.get_mass()
|
||||||
```
|
```
|
||||||
np.float64(0.08490700000000001)
|
np.float64(0.08490700000000001)
|
||||||
```
|
```
|
||||||
A ```elements``` object can be as well instantiated from a ```fluid``` object. Arithmetic operations between ```elements``` and ```fluid``` result in an ```elements``` object:
|
A ```elements``` object can be as well instantiated from a ```fluid``` object.
|
||||||
|
Arithmetic operations between ```elements``` and ```fluid``` result in
|
||||||
|
an ```elements``` object:
|
||||||
``` python
|
``` python
|
||||||
el2 = gp.elements(fl) + el - 0.3 * fl
|
el2 = gp.elements(fl) + el - 0.3 * fl
|
||||||
el2
|
el2
|
||||||
|
@ -146,7 +150,8 @@ N 1.000e+00 mol
|
||||||
O 7.000e-01 mol
|
O 7.000e-01 mol
|
||||||
```
|
```
|
||||||
|
|
||||||
Going from an atomic composition to an molecular composition is a little bit less straight forward, since there is no universal approach. One way is to calculate the thermodynamic equilibrium for a mixture:
|
Going from an atomic composition to an molecular composition is possible as well.
|
||||||
|
One way is to calculate the thermodynamic equilibrium for a mixture:
|
||||||
|
|
||||||
``` python
|
``` python
|
||||||
fs = gp.fluid_system('CH4, H2, CO, CO2, O2')
|
fs = gp.fluid_system('CH4, H2, CO, CO2, O2')
|
||||||
|
@ -163,7 +168,13 @@ CO2 33.07 %
|
||||||
O2 0.00 %
|
O2 0.00 %
|
||||||
```
|
```
|
||||||
|
|
||||||
The ```equilibrium``` function can be called with a ```fluid``` or ```elements``` object as first argument. ```fluid``` and ```elements``` referencing a ```fluid_system``` object witch can be be set as shown above during the object instantiation. If not provided, a new one will be created automatically. Providing a ```fluid_system``` gives more control over which molecular species are included in derived ```fluid``` objects. Furthermore arithmetic operations between objects with the same ```fluid_system``` are potentially faster:
|
The ```equilibrium``` function can be called with a ```fluid``` or ```elements``` object
|
||||||
|
as first argument. ```fluid``` and ```elements``` referencing a ```fluid_system``` object
|
||||||
|
witch can be be set as shown above during the object instantiation. If not provided,
|
||||||
|
a new one will be created automatically. Providing a ```fluid_system``` gives more
|
||||||
|
control over which molecular species are included in derived ```fluid``` objects.
|
||||||
|
Furthermore arithmetic operations between objects with the same ```fluid_system```
|
||||||
|
are potentially faster:
|
||||||
|
|
||||||
``` python
|
``` python
|
||||||
fl3 + gp.fluid({'CH4': 1}, fs)
|
fl3 + gp.fluid({'CH4': 1}, fs)
|
||||||
|
@ -177,7 +188,9 @@ CO2 18.07 %
|
||||||
O2 0.00 %
|
O2 0.00 %
|
||||||
```
|
```
|
||||||
|
|
||||||
Especially if the ```fluid_system``` of one of the operants has not a subset of molecular species of the other ```fluid_system``` a new ```fluid_system``` will be created for the operation which might degrade performance:
|
Especially if the ```fluid_system``` of one of the operants has not a subset of
|
||||||
|
molecular species of the other ```fluid_system``` a new ```fluid_system``` will
|
||||||
|
be created for the operation which might degrade performance:
|
||||||
|
|
||||||
``` python
|
``` python
|
||||||
fl3 + gp.fluid({'NH3': 1})
|
fl3 + gp.fluid({'NH3': 1})
|
||||||
|
|
Loading…
Reference in New Issue