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2025-05-09 13:59:20 +02:00 · 2025-05-09 13:59:20 +02:00 · 300873ba7a
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--- a/.flake8
+++ b/.flake8
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+[flake8]
+# Specify the maximum allowed line length
+max-line-length = 88
+
+# Ignore specific rules
+# For example, E501: Line too long, W503: Line break before binary operator
+ignore = E501, W503, W504, E226, E265
+
+# Exclude specific files or directories
+exclude = 
+    .git,
+    __pycache__,
+    build,
+    dist,
+    .conda,
+    tests/autogenerated_*
+
+# Enable specific plugins or options
+# Example: Enabling flake8-docstrings
+select = C,E,F,W,D
+
+# Specify custom error codes to ignore or enable
+per-file-ignores =
+    tests/*: D
--- a/.gitignore
+++ b/.gitignore
@ -0,0 +1,9 @@
+backend/index/*
+__pycache__
+*.code-workspace
+*.egg.info
+/src/*.egg-info/*
+/dist/*
+.vscode
+.pytest_cache
+tests/autogenerated_*.py
--- a/CITATION.cff
+++ b/CITATION.cff
@ -0,0 +1,18 @@
+cff-version: 1.2.0
+title: Gaspype
+abstract: Gaspype is a performant library for thermodynamic calculations with ideal gases
+authors:
+  - family-names: Kruse
+    given-names: Nicolas
+    orcid: "https://orcid.org/0000-0001-6758-2269"
+    affiliation: "German Aerospace Center (DLR)"
+    address: "Linder Höhe"
+    city: Köln
+version: 0.11.2
+date-released: "2025-04-01"
+#identifiers:
+#  - description: This is the collection of archived snapshots of all versions of Gaspype
+#    type: doi
+#    value: ""
+license: MIT License
+repository-code: "https://github.com/DLR-Institute-of-Future-Fuels/gaspype"
--- a/21
+++ b/21
@ -0,0 +1,21 @@
+MIT License
+
+Copyright (c) 2025 Nicolas Kruse, German Aerospace Center (DLR)
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.
--- a/README.md
+++ b/README.md
@ -0,0 +1,197 @@
+# Gaspype
+The python package provides an performant library for thermodynamic calculations
+like equilibrium reactions for several hundred gas species and their mixtures -
+written in Python/Numpy.
+
+Species are treated as ideal gases. Therefore the application is limited to moderate
+pressures or high temperature applications.
+
+Its designed with goal to be portable to Numpy-style GPU frameworks like JAX and PyTorch.
+
+## Key features
+- Tensor operations to prevent bottlenecks by the python interpreter
+- Immutable types
+- Elegant pythonic interface
+- Great readable and compact syntax when using this package
+- Good usability in Jupyter Notebook
+- High performance for multidimensional fluid arrays
+
+## Installation
+Installation with pip:
+``` bash
+pip install gaspype
+```
+
+Installation with conda:
+``` bash
+conda install gaspype
+```
+
+Installation for developers with pip:
+``` bash
+git clone https://github.com/DLR-Institute-of-Future-Fuels/gaspype
+pip install -e .[dev]
+```
+
+## Getting started
+Gaspype provides two main classes: ```fluid``` and ```elements```.
+
+### Fluid
+A fluid class describes a mixture of molecular species and their individual molar amounts.
+
+``` python
+import gaspype as gp
+fl = gp.fluid({'H2O': 1, 'H2': 2})
+fl
+```
+```
+Total            3.000e+00 mol
+H2O              33.33 %
+H2               66.67 %
+```
+
+Its' functions provides thermodynamic, mass balance and ideal gas properties of the mixture.
+
+``` python
+cp = fl.get_cp(t=800+273.15)
+mass = fl.get_mass()
+gas_volume = fl.get_v(t=800+273.15, p=1e5)
+```
+
+The arguments can be provided as numpy-arrays:
+
+``` python
+import numpy as np
+t_range = np.linspace(600, 800, 5) + 273.15
+fl.get_density(t=t_range, p=1e5)
+```
+```
+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:
+
+``` python
+fl2 = gp.fluid({'H2O': 1, 'N2': 2}) + \
+      np.linspace(0, 10, 4) * gp.fluid({'H2': 1})
+fl2
+```
+```
+Total mol:
+array([ 3.        ,  6.33333333,  9.66666667, 13.        ])
+Species:
+              H2        H2O         N2
+Molar fractions:
+array([[0.        , 0.33333333, 0.66666667],
+       [0.52631579, 0.15789474, 0.31578947],
+       [0.68965517, 0.10344828, 0.20689655],
+       [0.76923077, 0.07692308, 0.15384615]])
+```
+A fluid object can be converted to a pandas dataframe:
+``` python
+import pandas as pd
+pd.DataFrame(list(fl2))
+```
+|    | H2O | N2  |  H2 
+|----|-----|-----|-------
+|0   | 1.0 | 2.0 | 0.000000
+|1   | 1.0 | 2.0 | 3.333333
+|2   | 1.0 | 2.0 | 6.666667
+|3   | 1.0 | 2.0 | 10.000000
+
+The broadcasting behavior is not limited to 1D-arrays:
+
+``` python
+fl3 = gp.fluid({'H2O': 1}) + \
+      np.linspace(0, 10, 4) * gp.fluid({'H2': 1}) + \
+      np.expand_dims(np.linspace(1, 3, 3), axis=1) * gp.fluid({'N2': 1})
+fl3
+```
+```
+Total mol:
+array([[ 2.        ,  5.33333333,  8.66666667, 12.        ],
+       [ 3.        ,  6.33333333,  9.66666667, 13.        ],
+       [ 4.        ,  7.33333333, 10.66666667, 14.        ]])
+Species:
+              H2        H2O         N2
+Molar fractions:
+array([[[0.        , 0.5       , 0.5       ],
+        [0.625     , 0.1875    , 0.1875    ],
+        [0.76923077, 0.11538462, 0.11538462],
+        [0.83333333, 0.08333333, 0.08333333]],
+
+       [[0.        , 0.33333333, 0.66666667],
+        [0.52631579, 0.15789474, 0.31578947],
+        [0.68965517, 0.10344828, 0.20689655],
+        [0.76923077, 0.07692308, 0.15384615]],
+
+       [[0.        , 0.25      , 0.75      ],
+        [0.45454545, 0.13636364, 0.40909091],
+        [0.625     , 0.09375   , 0.28125   ],
+        [0.71428571, 0.07142857, 0.21428571]]])
+```
+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
+el = gp.elements({'N': 1, 'Cl': 2})
+el.get_mass()
+```
+```
+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:
+``` python
+el2 = gp.elements(fl) + el - 0.3 * fl
+el2
+```
+```
+Cl               2.000e+00 mol
+H                4.200e+00 mol
+N                1.000e+00 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:
+
+``` python
+fs = gp.fluid_system('CH4, H2, CO, CO2, O2')
+el3 = gp.elements({'C': 1, 'H': 2, 'O':1}, fs)
+fl3 = gp.equilibrium(el3, t=800)
+fl3
+```
+```
+Total            1.204e+00 mol
+CH4              33.07 %
+H2               16.93 %
+CO               16.93 %
+CO2              33.07 %
+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:
+
+``` python
+fl3 + gp.fluid({'CH4': 1}, fs)
+```
+```
+Total            2.204e+00 mol
+CH4              63.44 %
+H2                9.24 %
+CO                9.24 %
+CO2              18.07 %
+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:
+
+``` python
+fl3 + gp.fluid({'NH3': 1})
+```
+```
+Total            2.204e+00 mol
+CH4              18.07 %
+CO                9.24 %
+CO2              18.07 %
+H2                9.24 %
+NH3              45.38 %
+O2                0.00 %
+```
--- a/pyproject.toml
+++ b/pyproject.toml
@ -0,0 +1,56 @@
+[project]
+name = "gaspype"
+version = "0.0.1"
+authors = [
+  { name="Nicolas Kruse", email="nicolas.kruse@dlr.de" },
+]
+description = "Performant library for thermodynamic calculations"
+readme = "README.md"
+requires-python = ">=3.10"
+classifiers = [
+    "Programming Language :: Python :: 3",
+    "License :: OSI Approved :: MIT License",
+    "Operating System :: OS Independent",
+]
+dependencies = [
+  "pyyaml>6.0.2",
+  "numpy>2.0.0",
+  "scipy>1.12.0",
+]
+
+[project.urls]
+Homepage = "https://github.com/DLR-Institute-of-Future-Fuels/gaspype"
+Issues = "https://github.com/DLR-Institute-of-Future-Fuels/gaspype/issues"
+
+[build-system]
+requires = ["setuptools>=61.0", "wheel"]
+build-backend = "setuptools.build_meta"
+
+[tool.setuptools.packages.find]
+where = ["src"]
+
+[tool.setuptools.package-data]
+gaspype = ["data/*.yaml"]
+
+[project.optional-dependencies]
+dev = [
+    "flake8",
+    "mypy",
+    "pytest",
+    "pandas",
+]
+
+[tool.mypy]
+files = ["src"]
+strict = true
+warn_return_any = true
+warn_unused_configs = true
+check_untyped_defs = true
+no_implicit_optional = true
+show_error_codes = true
+
+[tool.pytest.ini_options]
+minversion = "6.0"
+addopts = "-ra -q"
+testpaths = ["tests"]
+pythonpath = ["src"]
--- a/src/gaspype/init.py
+++ b/src/gaspype/init.py
--- a/src/gaspype/data/atomic_prop.yaml
+++ b/src/gaspype/data/atomic_prop.yaml
@ -0,0 +1,90 @@
+atomic_weights:
+  data:
+    Ag: 107.8682
+    Al: 26.9815384
+    Ar: 39.95
+    As: 74.921595
+    Au: 196.96657
+    B: 10.81
+    Ba: 137.327
+    Be: 9.0121831
+    Bi: 208.9804
+    Br: 79.904
+    C: 12.011
+    Ca: 40.078
+    Cd: 112.414
+    Ce: 140.116
+    Cl: 35.45
+    Co: 58.933194
+    Cr: 51.9961
+    Cs: 132.90545196
+    Cu: 63.546
+    Dy: 162.5
+    Er: 167.259
+    Eu: 151.964
+    F: 18.998403163
+    Fe: 55.845
+    Ga: 69.723
+    Gd: 157.25
+    Ge: 72.63
+    H: 1.008
+    He: 4.002602
+    Hf: 178.49
+    Hg: 200.592
+    Ho: 164.930328
+    I: 126.90447
+    In: 114.818
+    Ir: 192.217
+    K: 39.0983
+    Kr: 83.798
+    La: 138.90547
+    Li: 6.94
+    Lu: 174.9668
+    Mg: 24.305
+    Mn: 54.938043
+    Mo: 95.95
+    N: 14.007
+    Na: 22.98976928
+    Nb: 92.90637
+    Nd: 144.242
+    Ne: 20.1797
+    Ni: 58.6934
+    O: 15.999
+    Os: 190.23
+    P: 30.973761998
+    Pa: 231.03588
+    Pb: 207.2
+    Pd: 106.42
+    Pr: 140.90766
+    Pt: 195.084
+    Rb: 85.4678
+    Re: 186.207
+    Rh: 102.90549
+    Ru: 101.07
+    S: 32.06
+    Sb: 121.76
+    Sc: 44.955908
+    Se: 78.971
+    Si: 28.085
+    Sm: 150.36
+    Sn: 118.71
+    Sr: 87.62
+    Ta: 180.94788
+    Tb: 158.925354
+    Te: 127.6
+    Th: 232.0377
+    Ti: 47.867
+    Tl: 204.38
+    Tm: 168.934218
+    U: 238.02891
+    V: 50.9415
+    W: 183.84
+    Xe: 131.293
+    Y: 88.90584
+    Yb: 173.045
+    Zn: 65.38
+    Zr: 91.224
+  note: Atomic weights values are used from CIAAW.when a single value is given. Available
+    online athttp://www.ciaaw.org/atomic-weights.htmWhen a range of values is given
+    in the CIAAW table, the "conventionalatomic weight" from the IUPAC Periodic Table
+    is used. Availableonline at https://iupac.org/wp-content/uploads/2018/12/IUPAC_Periodic_Table-01Dec18.pdf
--- a/src/gaspype/data/therm_prop.yaml
+++ b/src/gaspype/data/therm_prop.yaml
--- a/src/gaspype/data/units.yaml
+++ b/src/gaspype/data/units.yaml
@ -0,0 +1,562 @@
+prefixes:
+  - symbol: 'y'
+    name: yocto
+    value: 1.0e-24
+  - symbol: z
+    name: zepto
+    value: 1.0e-21
+  - symbol: a
+    name: atto
+    value: 1.0e-18
+  - symbol: f
+    name: femto
+    value: 1.0e-15
+  - symbol: p
+    name: pico
+    value: 1.0e-12
+  - symbol: 'n'
+    name: nano
+    value: 1.0e-9
+  - symbol: µ
+    name: micro
+    value: 1.0e-6
+  - symbol: m
+    name: milli
+    value: 1.0e-3
+  - symbol: c
+    name: centi
+    value: 1.0e-2
+  - symbol: d
+    name: deci
+    value: 1.0e-2
+  - symbol: da
+    name: deca
+    value: 1.0e+1
+  - symbol: h
+    name: hecto
+    value: 1.0e+2
+  - symbol: k
+    name: kilo
+    value: 1.0e+3
+  - symbol: M
+    name: mega
+    value: 1.0e+6
+  - symbol: G
+    name: giga
+    value: 1.0e+9
+  - symbol: T
+    name: tera
+    value: 1.0e+12
+  - symbol: P
+    name: peta
+    value: 1.0e+15
+  - symbol: E
+    name: exa
+    value: 1.0e+18
+  - symbol: Z
+    name: zetta
+    value: 1.0e+21
+  - symbol: 'Y'
+    name: yotta
+    value: 1.0e+24
+
+units:
+  - symbol: Pa
+    alt_identifier: [pascal]
+    si_base_unit:
+      kg: 1
+      m: -1
+      s: -2
+    typical_si_prefixes: [m, h, k, M, G]
+    si_factor: 1.0
+    usage: [pressure, strain]
+
+  - symbol: 'N'
+    alt_identifier: [newton]
+    si_base_unit:
+      kg: 1
+      m: 1
+      s: -2
+    typical_si_prefixes: [m, k, M, G]
+    si_factor: 1.0
+    usage: [force]
+
+  - symbol: lbf
+    alt_identifier: [pound]
+    si_base_unit:
+      kg: 1
+      m: 1
+      s: -2
+    si_factor: 4.4482
+    usage: [force]
+
+  - symbol: dyn
+    alt_identifier: [dyne]
+    si_base_unit:
+      kg: 1
+      m: 1
+      s: -2
+    typical_si_prefixes: []
+    si_factor: 1.0e-5
+    usage: [force]
+
+  - symbol: atm
+    alt_identifier: [atmosphere]
+    si_base_unit:
+      kg: 1
+      m: -1
+      s: -2
+    typical_si_prefixes: []
+    si_factor: 101325.0
+    usage: [pressure]
+
+  - symbol: t
+    alt_identifier: [ton]
+    si_base_unit:
+      kg: 1
+    typical_si_prefixes: []
+    si_factor: 1000.0
+    usage: [mass]
+
+  - symbol: u
+    alt_identifier: [atomic mass unit]
+    si_base_unit:
+      kg: 1
+    typical_si_prefixes: []
+    si_factor: 1.66053906660e-27
+    usage: [mass]
+
+  - symbol: g
+    alt_identifier: [gram]
+    si_base_unit:
+      kg: 1
+    typical_si_prefixes: [k]
+    si_factor: 0.001
+    usage: [mass]
+
+  - symbol: bar
+    alt_identifier: [bar]
+    si_base_unit:
+      kg: 1
+      m: -1
+      s: -2
+    typical_si_prefixes: []
+    si_factor: 100000.0
+    usage: [pressure]
+
+  - symbol: kgf
+    alt_identifier: [kilogram-force]
+    si_base_unit:
+      kg: 1
+      m: 1
+      s: -2
+    typical_si_prefixes: []
+    si_factor: 9.80665
+    usage: [force]
+
+  - symbol: psi
+    alt_identifier: [pound-force per square inch]
+    si_base_unit:
+      kg: 1
+      m: -1
+      s: -2
+    typical_si_prefixes: []
+    si_factor: 6894.75729
+    usage: [pressure]
+
+  - symbol: oz
+    alt_identifier: [ounce]
+    si_base_unit:
+      kg: 1
+    typical_si_prefixes: []
+    si_factor: 0.0283495
+    usage: [mass]
+
+  - symbol: carat
+    alt_identifier: [carat]
+    si_base_unit:
+      kg: 1
+    typical_si_prefixes: []
+    si_factor: 0.0002
+    usage: [mass]
+
+  - symbol: grain
+    alt_identifier: [grain]
+    si_base_unit:
+      kg: 1
+    typical_si_prefixes: []
+    si_factor: 0.00006479891
+    usage: [mass]
+
+  - symbol: torr
+    alt_identifier: [torr, mmHg]
+    si_base_unit:
+      kg: 1
+      m: -1
+      s: -2
+    typical_si_prefixes: []
+    si_factor: 133.322
+    usage: [pressure]
+
+  - symbol: mol
+    alt_identifier: [mole]
+    si_base_unit:
+      mol: 1
+    typical_si_prefixes: [m, k]
+    si_factor: 1.0
+    usage: [amount of substance]
+
+  - symbol: m
+    alt_identifier: [meter]
+    si_base_unit:
+      m: 1
+    typical_si_prefixes: [p, 'n', µ, m, c, d, k]
+    si_factor: 1.0
+    usage: [length]
+
+  - symbol: mm
+    alt_identifier: [millimeter]
+    si_base_unit:
+      m: 1
+    typical_si_prefixes: []
+    si_factor: 0.001
+    usage: [length]
+
+  - symbol: in
+    alt_identifier: [inch]
+    si_base_unit:
+      m: 1
+    typical_si_prefixes: []
+    si_factor: 0.0254
+    usage: [length]
+
+  - symbol: ft
+    alt_identifier: [foot]
+    si_base_unit:
+      m: 1
+    typical_si_prefixes: []
+    si_factor: 0.3048
+    usage: [length]
+
+  - symbol: yd
+    alt_identifier: [yard]
+    si_base_unit:
+      m: 1
+    typical_si_prefixes: []
+    si_factor: 0.9144
+    usage: [length]
+
+  - symbol: mi
+    alt_identifier: [mile]
+    si_base_unit:
+      m: 1
+    typical_si_prefixes: []
+    si_factor: 1609.34
+    usage: [length]
+
+  - symbol: m²
+    alt_identifier: [square meter]
+    si_base_unit:
+      m: 2
+    typical_si_prefixes: []
+    si_factor: 1.0
+    usage: [area]
+
+  - symbol: cm²
+    alt_identifier: [square centimeter]
+    si_base_unit:
+      m: 2
+    typical_si_prefixes: []
+    si_factor: 1.0e+4
+    usage: [area]
+
+  - symbol: mm²
+    alt_identifier: [square millimeter]
+    si_base_unit:
+      m: 2
+    typical_si_prefixes: []
+    si_factor: 1.0e+6
+    usage: [area]
+
+  - symbol: km²
+    alt_identifier: [square kilometer]
+    si_base_unit:
+      m: 2
+    typical_si_prefixes: []
+    si_factor: 1.0e-6
+    usage: [area]
+
+  - symbol: ac
+    alt_identifier: [acre]
+    si_base_unit:
+      m: 2
+    typical_si_prefixes: []
+    si_factor: 4046.86
+    usage: [area]
+
+  - symbol: ha
+    alt_identifier: [hectare]
+    si_base_unit:
+      m: 2
+    typical_si_prefixes: []
+    si_factor: 10000.0
+    usage: [area]
+
+  - symbol: l
+    alt_identifier: [liter]
+    si_base_unit:
+      m: 3
+    typical_si_prefixes: ['n', µ, m, c, d, h]
+    si_factor: 0.001
+    usage: [volume]
+
+  - symbol: m³
+    alt_identifier: [cubic meter]
+    si_base_unit:
+      m: 3
+    typical_si_prefixes: []
+    si_factor: 1.0
+    usage: [volume]
+
+  - symbol: cm³
+    alt_identifier: [cubic centimeter]
+    si_base_unit:
+      m: 3
+    typical_si_prefixes: []
+    si_factor: 1.0e+6
+    usage: [volume]
+
+  - symbol: dm³
+    alt_identifier: [cubic decimeter]
+    si_base_unit:
+      m: 3
+    typical_si_prefixes: []
+    si_factor: 1.0e+3
+    usage: [volume]
+
+  - symbol: mm³
+    alt_identifier: [cubic millimeter]
+    si_base_unit:
+      m: 3
+    typical_si_prefixes: []
+    si_factor: 1.0e+9
+    usage: [volume]
+
+  - symbol: km³
+    alt_identifier: [cubic kilometer]
+    si_base_unit:
+      m: 3
+    typical_si_prefixes: []
+    si_factor: 1.0e-9
+    usage: [volume]
+
+  - symbol: gal
+    alt_identifier: [gallon]
+    si_base_unit:
+      m: 3
+    typical_si_prefixes: []
+    si_factor: 0.00378541
+    usage: [volume]
+
+  - symbol: K
+    alt_identifier: [kelvin]
+    si_base_unit:
+      K: 3
+    typical_si_prefixes: [m]
+    si_factor: 1.0
+    usage: [temperature]
+
+  - symbol: C
+    alt_identifier: [celsius]
+    si_base_unit:
+      K: 3
+    typical_si_prefixes: [m]
+    si_factor: 1.0
+    offset: 273.15
+    usage: [temperature]
+
+  - symbol: F
+    alt_identifier: [fahrenheit]
+    si_base_unit:
+      K: 1
+    typical_si_prefixes: []
+    si_factor: 0.5555555555
+    offset: 255.372222
+    usage: [temperature]
+
+  - symbol: R
+    alt_identifier: [rankine]
+    si_base_unit:
+      K: 1
+    typical_si_prefixes: []
+    si_factor: 0.5555555555
+    offset: 0
+    usage: [temperature]
+
+  - symbol: V
+    alt_identifier: [volt]
+    si_base_unit:
+      kg: 1
+      m: 2
+      K: -3
+      A: -1
+    typical_si_prefixes: ['n', µ, m, k, M]
+    si_factor: 0.55555555555555
+    usage: [voltage]
+
+  - symbol: A
+    alt_identifier: [ampere]
+    si_base_unit:
+      A: 1
+    typical_si_prefixes: [p, 'n', µ, m, k]
+    si_factor: 0.555555555555555
+    usage: [current]
+
+  - symbol: Barrer
+    alt_identifier: [barrer]
+    si_base_unit:
+      mol: 1
+      s: 1
+      kg: -1
+    typical_si_prefixes: []
+    si_factor: 3.35e-16
+    usage: [permeability]
+
+  - symbol: C
+    alt_identifier: [coulomb]
+    si_base_unit:
+      s: 1
+      A: 1
+    typical_si_prefixes: []
+    si_factor: 1.0
+    usage: [charge]
+
+  - symbol: Ah
+    alt_identifier: [ampere-hour, amp-hour]
+    si_base_unit:
+      s: 1
+      A: 1
+    typical_si_prefixes: [m]
+    si_factor: 3600.0
+    usage: [charge]
+
+  - symbol: F
+    alt_identifier: [farad]
+    si_base_unit:
+      kg: -1
+      m: -2
+      s: 4
+      A: 2
+    typical_si_prefixes: [p, 'n', µ, m]
+    si_factor: 1.0
+    usage: [capacitance]
+
+  - symbol: S
+    alt_identifier: [siemens, moh]
+    si_base_unit:
+      kg: -1
+      m: -2
+      s: 3
+      A: 2
+    typical_si_prefixes: [µ, m]
+    si_factor: 1.0
+    usage: [conductance]
+
+  - symbol: Ω
+    alt_identifier: [ohm]
+    si_base_unit:
+      kg: 11
+      m: 2
+      s: -3
+      A: -2
+    typical_si_prefixes: [m, k, M, G]
+    si_factor: 1.0
+    usage: [resistance]
+
+  - symbol: s
+    alt_identifier: [second, sec]
+    si_base_unit:
+      s: 1
+    typical_si_prefixes: ['n', µ, m]
+    si_factor: 1
+    usage: [time]
+
+  - symbol: min
+    alt_identifier: [minute]
+    si_base_unit:
+      s: 1
+    typical_si_prefixes: []
+    si_factor: 60
+    usage: [time]
+
+  - symbol: h
+    alt_identifier: [hour]
+    si_base_unit:
+      s: 1
+    typical_si_prefixes: []
+    si_factor: 3600
+    usage: [time]
+
+  - symbol: d
+    alt_identifier: [day]
+    si_base_unit:
+      s: 1
+    typical_si_prefixes: []
+    si_factor: 86400
+    usage: [time]
+
+  - symbol: wk
+    alt_identifier: [week]
+    si_base_unit:
+      s: 1
+    typical_si_prefixes: []
+    si_factor: 604800
+    usage: [time]
+
+  - symbol: yr
+    alt_identifier: [year]
+    si_base_unit:
+      s: 1
+    typical_si_prefixes: []
+    si_factor: 31557600
+    usage: [time]
+
+  - symbol: J
+    alt_identifier: [joule]
+    si_base_unit:
+      kg: 1
+      m: 2
+      s: -2
+    typical_si_prefixes: ['n', µ, m, k, M, G, T, P]
+    si_factor: 1
+    usage: [energy]
+
+  - symbol: cal
+    alt_identifier: [calorie]
+    si_base_unit:
+      kg: 1
+      m: 2
+      s: -2
+    typical_si_prefixes: [k]
+    si_factor: 4.184
+    usage: [energy]
+
+  - symbol: Wh
+    alt_identifier: [watt-hour]
+    si_base_unit:
+      kg: 1
+      m: 2
+      s: -2
+    typical_si_prefixes: [m, k, M, G, T]
+    si_factor: 3600
+    usage: [energy]
+
+  - symbol: eV
+    alt_identifier: [electronvolt]
+    si_base_unit:
+      kg: 1
+      m: 2
+      s: -2
+    typical_si_prefixes: [k, M]
+    si_factor: 1.602176634e-19
+    usage: [energy]
--- a/src/gaspype/gas_systems.py
+++ b/src/gaspype/gas_systems.py
@ -0,0 +1,107 @@
+from . import fluid_system
+
+
+def syngas(*additional_gases: str) -> fluid_system:
+    """
+    This function returns a fluid system containing the following gases: H2, H2O, CO2,
+    CO, CH4, C2H6, C2H4, C2H2 (acetylene), CH3OH, C2H5OH, C3H8.
+    Any additional gases provided as arguments will also be included in the fluid system.
+
+    Args:
+        additional_gases: Any number of additional gases to include in the fluid system.
+
+    Returns:
+        fluid_system: A fluid system containing the specified gases.
+    """
+    return fluid_system(['H2', 'H2O', 'CO2', 'CO', 'CH4', 'C2H6',
+                         'C2H4', 'C2H2', 'CH3OH', 'C2H5OH', 'C3H8'] + list(additional_gases))
+
+
+def syngas_simple(*additional_gases: str) -> fluid_system:
+    """
+    This function returns a simplified fluid system containing the following gases: H2,
+    H2O, CO2, CO, CH4.
+    Any additional gases provided as arguments will also be included in the fluid system.
+
+    Args:
+        additional_gases: Any number of additional gases to include in the fluid system.
+
+    Returns:
+        fluid_system: A simplified fluid system containing the specified gases.
+    """
+    return fluid_system(['H2', 'H2O', 'CO2', 'CO', 'CH4'] + list(additional_gases))
+
+
+def synthetic_air(*additional_gases: str) -> fluid_system:
+    """
+    This function returns a fluid system containing synthetic air (N2 and O2).
+    Any additional gases provided as arguments will also be included in the fluid system.
+
+    Args:
+        additional_gases: Any number of additional gases to include in the fluid system.
+
+    Returns:
+        fluid_system: A fluid system containing synthetic air and any additional specified gases.
+    """
+    return fluid_system(['N2', 'O2'] + list(additional_gases))
+
+
+def air(*additional_gases: str) -> fluid_system:
+    """
+    This function returns a fluid system containing atmospheric air (N2, O2, Ar and H2O).
+    Any additional gases provided as arguments will also be included in the fluid system.
+
+    Args:
+        additional_gases: Any number of additional gases to include in the fluid system.
+
+    Returns:
+        fluid_system: A fluid system containing atmospheric air and any additional specified gases.
+    """
+    return fluid_system(['N2', 'O2', 'Ar', 'H2O'] + list(additional_gases))
+
+
+def dry_air(*additional_gases: str) -> fluid_system:
+    """
+    This function returns a fluid system containing atmospheric air (N2, O2, and Ar).
+    Any additional gases provided as arguments will also be included in the fluid system.
+
+    Args:
+        additional_gases: Any number of additional gases to include in the fluid system.
+
+    Returns:
+        fluid_system: A fluid system containing atmospheric air and any additional specified gases.
+    """
+    return fluid_system(['N2', 'O2', 'Ar'] + list(additional_gases))
+
+
+def electrolysis(*additional_gases: str) -> fluid_system:
+    """
+    This function returns a fluid system containing the gases produced during
+    electrolysis (H2, H2O, O2, N2). Any additional gases provided as arguments
+    will also be included in the fluid system.
+
+    Args:
+        additional_gases: Any number of additional gases to include in the fluid system.
+
+    Returns:
+        fluid_system: A fluid system containing the gases produced during electrolysis and
+        any additional specified gases.
+    """
+    return fluid_system(['H2', 'H2O', 'O2', 'N2'] + list(additional_gases))
+
+
+def methanol_synthesis(*additional_gases: str) -> fluid_system:
+    """
+    This function returns a fluid system containing the gases involved in methanol synthesis
+    (H2, H2O, O2, CO2, CO, CH4, CH3OH, C3H6O, C2H4O2). Any additional gases provided
+    as arguments will also be included in the fluid system.
+
+    Args:
+        additional_gases: Any number of additional gases to include in the fluid system.
+
+    Returns:
+        fluid_system: A fluid system containing the gases involved in methanol
+        synthesis and any additional specified gases.
+    """
+    return fluid_system(['H2', 'H2O', 'O2', 'CO2', 'CO',
+                         'CH4', 'CH3OH', 'C3H6O', 'C2H4O2'] + list(additional_gases))
--- a/src/gaspype/membrane.py
+++ b/src/gaspype/membrane.py
@ -0,0 +1,11 @@
+from . import R, F, oxygen_partial_pressure, fluid, elements, FloatArray
+import numpy as np
+
+# Each O2 molecule is transported as two ions and each ion has a charged of 2e
+z_O2 = 4
+
+
+def voltage_potential(f1: fluid | elements, f2: fluid | elements, t: float, p: float = 1e5) -> FloatArray:
+    p1 = oxygen_partial_pressure(f1, t, p)
+    p2 = oxygen_partial_pressure(f2, t, p)
+    return R * t / (z_O2 * F) * np.log(p2 / p1)
--- a/src/gaspype/units.py
+++ b/src/gaspype/units.py
@ -0,0 +1,9 @@
+class celsius_helper():
+    def __mul__(self, other: float | int) -> float:
+        return other + 273.15
+
+    def __rmul__(self, other: float | int) -> float:
+        return other + 273.15
+
+
+C = celsius_helper()
--- a/tests/test_caching.py
+++ b/tests/test_caching.py
@ -0,0 +1,64 @@
+import gaspype as gp
+
+
+def test_one_component_equalibrium():
+    fl = gp.fluid({'O2': 1})
+
+    t = 858
+    p = 2.56e5
+
+    fl_eq = gp.equilibrium(fl, t, p)
+
+    assert (fl.array_composition == fl_eq.array_composition).all()
+
+
+def test_undipendent_components():
+    fl = gp.fluid({'O2': 1, 'N2': 1, 'CH4': 1})
+
+    t = 858
+    p = 2.56e5
+
+    fl_eq = gp.equilibrium(fl, t, p)
+
+    assert (fl.array_composition == fl_eq.array_composition).all()
+
+
+def test_restricted_component_equalibrium():
+    fl = gp.fluid({'O2': 1, 'N2': 1, 'H2O': 1})
+
+    t = 858
+    p = 2.56e5
+
+    fl_eq = gp.equilibrium(fl, t, p)
+
+    assert (fl.array_composition == fl_eq.array_composition).all()
+
+
+def test_comp_cache():
+
+    t = 2500
+    p = 1e5
+
+    # Cached case 1:
+    fl = gp.fluid({'H2': 1, 'CH4': 1})
+    fl_2 = gp.equilibrium(fl, t, p)
+    assert fl is fl_2
+
+    # Cached case 2:
+    fl = gp.fluid({'H2': 1, 'CH4': 1, 'O2': 10, 'N2': 1})
+    fl_2 = gp.equilibrium(fl, t, p)
+    assert fl is fl_2
+
+    # Non cached case 2:
+    fl = gp.fluid({'H2': 1, 'CO': 1, 'CO2': 1, 'CH4': 1})
+    fl_3 = gp.equilibrium(fl, t, p)
+    print(fl_3)
+    print(fl is fl_3)
+    assert not (fl.array_composition == fl_3.array_composition).all()
+
+    # Non cached case 3:
+    fl = gp.fluid({'O2': 1, 'CO': 1, 'CH4': 1, 'H2': 1})
+    fl_3 = gp.equilibrium(fl, t, p)
+    print(fl_3)
+    print(fl is fl_3)
+    assert not (fl.array_composition == fl_3.array_composition).all()
--- a/tests/test_data/cycle_temp_matlab_ref.csv
+++ b/tests/test_data/cycle_temp_matlab_ref.csv
@ -0,0 +1,167 @@
+p /bar abs;T /°C;m CH4 /g/s;m C2H6 /g/s;m C3H8 /g/s;m C4H10 /g/s;m H2O /g/s;x CxHy;x H2O;T Reak /°C;Q trans /W;T /°C;x CH4;x C2H6;x C3H8;x C4H10;x H2O;x H2;x CO2;x CO;x C(s);Summe;x CH4;x C2H6;x C3H8;x C4H10;x H2O;x H2;x CO2;x CO
+1;100;10;;;;1,248;0,9;0,1;100;23,65;100;0,8994;0;0;0;0,0996;0,0008;0,0002;0;0;1;0,900;0,000;0,000;0,000;0,100;0,001;0,000;0,000
+1;125;10;;;;1,248;0,9;0,1;125;47,28;125;0,8988;;;;0,0991;0,0016;0,0004;0;0;0,9999;0,899;0,000;0,000;0,000;0,099;0,001;0,000;0,000
+1;300;10;;;;1,248;0,9;0,1;300;1861,58;300;0,8184;0;0;0;0,0916;0,0608;0,0013;0;0,0278;0,9999;0,875;0,000;0,000;0,000;0,080;0,036;0,009;0,000
+1;500;10;;;;1,248;0,9;0,1;500;18388,61;500;0,3796;0;0;0;0,0563;0,3782;0,002;0,0026;0,1813;1;0,760;0,000;0,000;0,000;0,020;0,170;0,019;0,031
+1;700;10;;;;1,248;0,9;0,1;700;51426,43;700;0,0685;0;0;0;0,0134;0,6211;0,0009;0,0254;0,2707;1;0,668;0,000;0,000;0,000;0,000;0,249;0,000;0,083
+1;900;10;;;;1,248;0,9;0,1;900;63662,08;900;0,012;0;0;0;0,0012;0,6697;0;0,0353;0,2818;1;0,667;0,000;0,000;0,000;0,000;0,250;0,000;0,083
+1;1100;10;;;;1,248;0,9;0,1;1100;66312,3;1100;0,0031;0;0;0;0,0002;0,6764;0;0,0358;0,2845;1;0,667;0,000;0,000;0,000;0,000;0,250;0,000;0,083
+1;1300;10;;;;1,248;0,9;0,1;1300;66973,34;1300;0,0011;0;0;0;0;0,6778;0;0,0358;0,2853;1;0,667;0,000;0,000;0,000;0,000;0,250;0,000;0,083
+1;1500;10;;;;1,248;0,9;0,1;1500;67085,18;1500;0,0005;0;0;0;0;0,6782;0;0,0357;0,2855;0,9999;0,667;0,000;0,000;0,000;0,000;0,250;0,000;0,083
+1;100;10;;;;4,813;0,7;0,3;100;44,96;100;0,6993;0;0;0;0,2992;0,0012;0,0003;0;0;1;0,700;0,000;0,000;0,000;0,299;0,001;0,000;0,000
+1;290;10;;;;4,813;0,7;0,3;290;1964,56;290;0,6709;;;;0,2686;0,0484;0,0121;0;0;1;0,671;0,000;0,000;0,000;0,268;0,049;0,012;0,000
+1;300;10;;;;4,813;0,7;0,3;300;2262,44;300;0,6646;0;0;0;0,2651;0,0555;0,013;0,0001;0,0017;1;0,667;0,000;0,000;0,000;0,264;0,055;0,014;0,000
+1;500;10;;;;4,813;0,7;0,3;500;21531,84;500;0,3231;0;0;0;0,1601;0,3597;0,0187;0,0082;0,1301;0,9999;0,512;0,000;0,000;0,000;0,120;0,289;0,054;0,025
+1;700;10;;;;4,813;0,7;0,3;700;68473,16;700;0,0626;0;0;0;0,0397;0,6321;0,0085;0,0838;0,1732;0,9999;0,270;0,000;0,000;0,000;0,008;0,543;0,004;0,175
+1;900;10;;;;4,813;0,7;0,3;900;88901,88;900;0,0112;0;0;0;0,0036;0,6982;0,0005;0,1232;0,1633;1;0,251;0,000;0,000;0,000;0,000;0,562;0,000;0,187
+1;1100;10;;;;4,813;0,7;0,3;1100;92926,21;1100;0,0029;0;0;0;0,0005;0,7061;0;0,1251;0,1653;0,9999;0,251;0,000;0,000;0,000;0,000;0,562;0,000;0,187
+1;1300;10;;;;4,813;0,7;0,3;1300;93629,66;1300;0,001;0;0;0;0,0001;0,7076;0;0,1251;0,1661;0,9999;0,250600;0,000000;0,000000;0,000000;0,000000;0,562100;0,000000;0,187400
+1;1500;10;;;;4,813;0,7;0,3;1500;93612;1500;0,0005;0;0;0;0;0,708;0;0,1251;0,1664;1;0,251;0,000;0,000;0,000;0,000;0,562;0,000;0,187
+1;100;10;;;;11,23;0,5;0,5;100;72,33;100;0,4993;0;0;0;0,499;0,0014;0,0003;0;0;1;0,500;0,000;0,000;0,000;0,499;0,001;0,000;0,000
+1;300;10;;;;11,23;0,5;0,5;300;3636,44;300;0,4683;0;0;0;0,4525;0,0633;0,0158;0,0001;0;1;0,469;0,000;0,000;0,000;0,452;0,064;0,016;0,000
+1;440;10;;;;11,23;0,5;0,5;440;16020,54;440;0,3788;;;;0,323;0,2376;0,0557;0,0049;0;1;0,379;0,000;0,000;0,000;0,322;0,238;0,056;0,005
+1;500;10;;;;11,23;0,5;0,5;500;27680,77;500;0,2784;0;0;0;0,2598;0,351;0,0572;0,015;0,0386;1;0,319;0,000;0,000;0,000;0,247;0,343;0,071;0,019
+1;700;10;;;;11,23;0,5;0,5;700;98612,3;700;0,0575;0;0;0;0,0669;0,6544;0,0264;0,1591;0,0358;1,0001;0,079;0,000;0,000;0,000;0,054;0,657;0,025;0,186
+1;845;10;;;;11,23;0,5;0,5;845;132264,08;845;0,0161;;;;0,0123;0,7297;0,0038;0,2382;0;1,0001;0,017;0,000;0,000;0,000;0,012;0,729;0,004;0,238
+1;900;10;;;;11,23;0,5;0,5;900;136343,97;900;0,0092;0;0;0;0,0073;0,7381;0,0019;0,2435;0;1;0,010;0,000;0,000;0,000;0,007;0,738;0,002;0,244
+1;1100;10;;;;11,23;0,5;0,5;1100;140733,92;1100;0,0017;0;0;0;0,0014;0,7477;0,0002;0,2489;0;0,9999;0,002;0,000;0,000;0,000;0,001;0,748;0,000;0,249
+1;1300;10;;;;11,23;0,5;0,5;1300;141616,33;1300;0,0005;0;0;0;0,0004;0,7494;0;0,2497;0;1;0,001;0,000;0,000;0,000;0,000;0,749;0,000;0,250
+1;1500;10;;;;11,23;0,5;0,5;1500;141381,67;1500;0,0002;0;0;0;0,0002;0,7498;0;0,2499;0;1,0001;0,001;0,000;0,000;0,000;0,000;0,750;0,000;0,250
+1;100;10;;;;26,202;0,3;0,7;100;124,79;100;0,2994;0;0;0;0,6988;0,0014;0,0004;0;0;1;0,300;0,000;0,000;0,000;0,698;0,001;0,000;0,000
+1;300;10;;;;26,202;0,3;0,7;300;6275,52;300;0,2738;0;0;0;0,6443;0,0655;0,0164;0;0;1;0,274;0,000;0,000;0,000;0,644;0,066;0,017;0,000
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+1;1100;;;10;;9,535;0,3;0,7;1100;100370,49;1100;0,0024;0;0;0;0,0008;0,6762;0,0002;0,2501;0,0703;1;0,084;0,000;0,000;0,000;0,000;0,625;0,000;0,292
+1;1300;;;10;;9,535;0,3;0,7;1300;100522,9;1300;0,0009;0;0;0;0,0002;0,6778;0;0,2502;0,0708;0,9999;0,084;0,000;0,000;0,000;0,000;0,625;0,000;0,292
+1;1500;;;10;;9,535;0,3;0,7;1500;100225,15;1500;0,0004;0;0;0;0,0001;0,6783;0;0,2502;0,0711;1,0001;0,084;0,000;0,000;0,000;0,000;0,625;0,000;0,292
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+1;500;;;10;;36,755;0,1;0,9;500;38213,36;500;0,1063;0;0;0;0,4541;0,3185;0,1066;0,0145;0;1;0,106;0,000;0,000;0,000;0,453;0,319;0,107;0,015
+1;700;;;10;;36,755;0,1;0,9;700;107632;700;0,0037;0;0;0;0,2926;0,5184;0,0886;0,0967;0;1;0,004;0,000;0,000;0,000;0,292;0,519;0,089;0,097
+1;900;;;10;;36,755;0,1;0,9;900;114567,32;900;0;0;0;0;0,3127;0,4997;0,0621;0,1254;0;0,9999;0,000;0,000;0,000;0,000;0,312;0,500;0,062;0,126
+1;1100;;;10;;36,755;0,1;0,9;1100;116452,89;1100;0;0;0;0;0,3281;0,4844;0,0467;0,1409;0;1,0001;0,000;0,000;0,000;0,000;0,328;0,485;0,047;0,141
+1;1300;;;10;;36,755;0,1;0,9;1300;117179,29;1300;0;0;0;0;0,3375;0,4749;0,0373;0,1503;0;1;0,000;0,000;0,000;0,000;0,337;0,475;0,037;0,150
+1;1500;;;10;;36,755;0,1;0,9;1500;117434,53;1500;0;0;0;0;0,3436;0,4689;0,0312;0,1564;0;1,0001;0,000;0,000;0,000;0,000;0,343;0,469;0,031;0,157
+1;100;;;;10;0,344;0,9;0,1;100;-10490,2;100;0,6076;0;0;0;0,027;0,0005;0;0;0,3649;1;0,958;0,000;0,000;0,000;0,000;0,000;0,000;0,042
+1;300;;;;10;0,344;0,9;0,1;300;-9504,22;300;0,5634;0;0;0;0,0256;0,0406;0,0001;0;0,3702;0,9999;0,958;0,000;0,000;0,000;0,000;0,000;0,000;0,042
+1;500;;;;10;0,344;0,9;0,1;500;1122,89;500;0,2942;0;0;0;0,018;0,2846;0,0003;0,0008;0,4021;1;0,958;0,000;0,000;0,000;0,000;0,000;0,000;0,042
+1;700;;;;10;0,344;0,9;0,1;700;20846,48;700;0,0574;0;0;0;0,0047;0,5059;0,0001;0,0086;0,4232;0,9999;0,958;0,000;0,000;0,000;0,000;0,000;0,000;0,042
+1;900;;;;10;0,344;0,9;0,1;900;28062,22;900;0,0102;0;0;0;0,0004;0,5516;0;0,012;0,4258;1;0,958;0,000;0,000;0,000;0,000;0,000;0,000;0,042
+1;1100;;;;10;0,344;0,9;0,1;1100;29061,48;1100;0,0027;0;0;0;0,0001;0,5586;0;0,0122;0,4265;1,0001;0,958;0,000;0,000;0,000;0,000;0,000;0,000;0,042
+1;1300;;;;10;0,344;0,9;0,1;1300;29068,34;1300;0,001;0;0;0;0;0,5601;0;0,0122;0,4267;1;0,958;0,000;0,000;0,000;0,000;0,000;0,000;0,042
+1;1500;;;;10;0,344;0,9;0,1;1500;29040,22;1500;0,0004;0;0;0;0;0,5606;0;0,0122;0,4268;1;0,958;0,000;0,000;0,000;0,000;0,000;0,000;0,042
+1;100;;;;10;1,329;0,7;0,3;100;-10481,84;100;0,5649;0;0;0;0,096;0,0005;0,0004;0;0,3382;1;0,864;0,000;0,000;0,000;0,000;0,000;0,000;0,136
+1;300;;;;10;1,329;0,7;0,3;300;-9412,45;300;0,5259;0;0;0;0,0895;0,0401;0,0019;0;0,3427;1,0001;0,864;0,000;0,000;0,000;0,000;0,000;0,000;0,136
+1;500;;;;10;1,329;0,7;0,3;500;1936,82;500;0,2752;0;0;0;0,0612;0,2811;0,0032;0,0029;0,3765;1,0001;0,864;0,000;0,000;0,000;0,000;0,000;0,000;0,136
+1;700;;;;10;1,329;0,7;0,3;700;26086,77;700;0,0552;0;0;0;0,0161;0,5129;0,0016;0,0312;0,3831;1,0001;0,864;0,000;0,000;0,000;0,000;0,000;0,000;0,136
+1;900;;;;10;1,329;0,7;0,3;900;35100,96;900;0,0099;0;0;0;0,0014;0,5659;0,0001;0,0447;0,3779;0,9999;0,864;0,000;0,000;0,000;0,000;0,000;0,000;0,136
+1;1100;;;;10;1,329;0,7;0,3;1100;36410,91;1100;0,0026;0;0;0;0,0002;0,5734;0;0,0455;0,3784;1,0001;0,864;0,000;0,000;0,000;0,000;0,000;0,000;0,136
+1;1300;;;;10;1,329;0,7;0,3;1300;36425,93;1300;0,0009;0;0;0;0;0,5749;0;0,0455;0,3786;0,9999;0,864;0,000;0,000;0,000;0,000;0,000;0,000;0,136
+1;1500;;;;10;1,329;0,7;0,3;1500;36362,23;1500;0,0004;0;0;0;0;0,5754;0;0,0455;0,3787;1;0,864;0,000;0,000;0,000;0,000;0,000;0,000;0,136
+1;100;;;;10;3,1;0,5;0,5;100;-10451,2;100;0,5036;0;0;0;0,1967;0,0005;0,0021;0;0,2972;1,0001;0,750;0,000;0,000;0,000;0,000;0,000;0,000;0,250
+1;300;;;;10;3,1;0,5;0,5;300;-9207,98;300;0,477;0;0;0;0,1789;0,0395;0,0082;0;0,2963;0,9999;0,750;0,000;0,000;0,000;0,000;0,000;0,000;0,250
+1;500;;;;10;3,1;0,5;0,5;500;3510,24;500;0,2529;0;0;0;0,1184;0,2792;0,0131;0,006;0,3303;0,9999;0,750;0,000;0,000;0,000;0,000;0,000;0,000;0,250
+1;700;;;;10;3,1;0,5;0,5;700;34546,12;700;0,0525;0;0;0;0,0316;0,5264;0,0064;0,0661;0,3169;0,9999;0,750;0,000;0,000;0,000;0,000;0,000;0,000;0,250
+1;900;;;;10;3,1;0,5;0,5;900;47784,41;900;0,0095;0;0;0;0,0029;0,5895;0,0004;0,0982;0,2995;1;0,750;0,000;0,000;0,000;0,000;0,000;0,000;0,250
+1;1100;;;;10;3,1;0,5;0,5;1100;49644,67;1100;0,0025;0;0;0;0,0004;0,5976;0;0,1001;0,2994;1;0,750;0,000;0,000;0,000;0,000;0,000;0,000;0,250
+1;1300;;;;10;3,1;0,5;0,5;1300;49672,79;1300;0,0009;0;0;0;0,0001;0,5992;0;0,1001;0,2997;1;0,750;0,000;0,000;0,000;0,000;0,000;0,000;0,250
+1;1500;;;;10;3,1;0,5;0,5;1500;49544,87;1500;0,0004;0;0;0;0;0,5997;0;0,1001;0,2998;1;0,750;0,000;0,000;0,000;0,000;0,000;0,000;0,250
+1;100;;;;10;7,235;0,3;0,7;100;-10322,97;100;0,4092;0;0;0;0,3578;0,0004;0,0084;0;0,2242;1;0,673;0,000;0,000;0,000;0,172;0,000;0,155;0,000
+1;300;;;;10;7,235;0,3;0,7;300;-8597,86;300;0,413;0;0;0;0,3164;0,0391;0,0298;0,0001;0,2015;0,9999;0,659;0,000;0,000;0,000;0,159;0,023;0,159;0,001
+1;500;;;;10;7,235;0,3;0,7;500;7452,47;500;0,2276;0;0;0;0,2028;0,2837;0,0427;0,0116;0,2317;1,0001;0,524;0,000;0,000;0,000;0,084;0,193;0,138;0,061
+1;700;;;;10;7,235;0,3;0,7;700;53987,33;700;0,0495;0;0;0;0,0551;0,5571;0,0208;0,1296;0,1879;1;0,236;0,000;0,000;0,000;0,010;0,471;0,009;0,274
+1;900;;;;10;7,235;0,3;0,7;900;77410,38;900;0,0091;0;0;0;0,0053;0,6353;0,0013;0,2017;0,1472;0,9999;0,209;0,000;0,000;0,000;0,000;0,499;0,000;0,292
+1;1100;;;;10;7,235;0,3;0,7;1100;80530,19;1100;0,0024;0;0;0;0,0007;0,6447;0,0001;0,206;0,1461;1;0,209;0,000;0,000;0,000;0,000;0,500;0,000;0,292
+1;1300;;;;10;7,235;0,3;0,7;1300;80584,59;1300;0,0009;0;0;0;0,0002;0,6463;0;0,2061;0,1465;1;0,209;0,000;0,000;0,000;0,000;0,500;0,000;0,292
+1;1500;;;;10;7,235;0,3;0,7;1500;80306,36;1500;0,0004;0;0;0;0,0001;0,6468;0;0,206;0,1468;1,0001;0,209;0,000;0,000;0,000;0,000;0,500;0,000;0,292
+1;100;;;;10;27,848;0,1;0,9;100;-9001,82;100;0,256;0;0;0;0,6632;0,0004;0,0459;0;0,0346;1,0001;0,283;0,000;0,000;0,000;0,651;0,000;0,066;0,000
+1;150;;;;10;27,848;0,1;0,9;150;-8516,59;150;0,2825;;;;0,6499;0,0018;0,0658;0;0;1;0,283;0,000;0,000;0,000;0,650;0,002;0,066;0,000
+1;300;;;;10;27,848;0,1;0,9;300;-5163,14;300;0,2661;0;0;0;0,6155;0,0435;0,0747;0,0001;0;0,9999;0,266;0,000;0,000;0,000;0,615;0,044;0,075;0,000
+1;500;;;;10;27,848;0,1;0,9;500;28657,69;500;0,1524;0;0;0;0,3941;0,3156;0,1194;0,0186;0;1,0001;0,152;0,000;0,000;0,000;0,394;0,316;0,120;0,019
+1;700;;;;10;27,848;0,1;0,9;700;105318,22;700;0,0093;0;0;0;0,2095;0,5638;0,0818;0,1356;0;1;0,009;0,000;0,000;0,000;0,209;0,564;0,082;0,135
+1;900;;;;10;27,848;0,1;0,9;900;114961,42;900;0,0001;0;0;0;0,2232;0,5543;0,0538;0,1687;0;1,0001;0,000;0,000;0,000;0,000;0,223;0,554;0,054;0,169
+1;1100;;;;10;27,848;0,1;0,9;1100;116322,49;1100;0;0;0;0;0,2374;0,5401;0,0394;0,1831;0;1;0,000;0,000;0,000;0,000;0,237;0,540;0,039;0,183
+1;1300;;;;10;27,848;0,1;0,9;1300;116657,19;1300;0;0;0;0;0,2459;0,5316;0,0309;0,1916;0;1;0,000;0,000;0,000;0,000;0,246;0,532;0,031;0,192
+1;1500;;;;10;27,848;0,1;0,9;1500;116628,53;1500;0;0;0;0;0,2512;0,5263;0,0256;0,1969;0;1;0,000;0,000;0,000;0,000;0,251;0,526;0,026;0,197
--- a/tests/test_data/test_data_h2.tsv
+++ b/tests/test_data/test_data_h2.tsv
@ -0,0 +1,9 @@
+T	p	roh	h	s	cp
+300.00	0.10000	0.040067	7979.4	107.89	28.853
+400.00	0.10000	0.030054	10886.	116.25	29.189
+500.00	0.10000	0.024045	13809.	122.77	29.256
+600.00	0.10000	0.020039	16738.	128.11	29.330
+700.00	0.10000	0.017177	19677.	132.64	29.460
+800.00	0.10000	0.015030	22632.	136.58	29.653
+900.00	0.10000	0.013361	25610.	140.09	29.908
+1000.0	0.10000	0.012025	28616.	143.26	30.222
--- a/tests/test_data/test_data_nh3.tsv
+++ b/tests/test_data/test_data_nh3.tsv
@ -0,0 +1,6 @@
+T	p	roh	h	s	cp
+300.00	0.10000	0.040502	28847.	120.80	36.849
+400.00	0.10000	0.030171	32612.	131.62	38.883
+500.00	0.10000	0.024091	36665.	140.65	42.280
+600.00	0.10000	0.020060	41081.	148.69	46.083
+700.00	0.10000	0.017188	45885.	156.09	50.015
--- a/tests/test_data/test_data_nh3_ht.tsv
+++ b/tests/test_data/test_data_nh3_ht.tsv
@ -0,0 +1,4 @@
+T	p	roh	h	s	cp
+500.00	0.10000	0.024091	36665.	140.65	42.280
+600.00	0.10000	0.020060	41081.	148.69	46.083
+700.00	0.10000	0.017188	45885.	156.09	50.015
--- a/tests/test_dimentions.py
+++ b/tests/test_dimentions.py
@ -0,0 +1,122 @@
+import gaspype as gp
+import numpy as np
+
+fs = gp.fluid_system(gp.species('C2H#'))
+
+
+def test_broadcast_temperature():
+    fl = gp.fluid({'C2H4': 0.5, 'C2H6': 0.5}, fs)
+
+    assert fl.shape == tuple()
+
+    assert fl.array_fractions.shape == (len(fs.species),)
+
+    s = fl.get_s(np.array([300, 400, 500, 600]), 1e6)
+    assert s.shape == (4,)
+    s = fl.get_g(np.array([300, 400, 500, 600]), 1e6)
+    assert s.shape == (4,)
+    s = fl.get_g_rt(np.array([300, 400, 500, 600]), 1e6)
+    assert s.shape == (4,)
+    s = fl.get_h(np.array([300, 400, 500, 600]))
+    assert s.shape == (4,)
+    s = fl.get_cp(np.array([300, 400, 500, 600]))
+    assert s.shape == (4,)
+    s = fl.get_v(np.array([300, 400, 500, 600]), 1e6)
+    assert s.shape == (4,)
+    s = fl.get_density(np.array([300, 400, 500, 600]), 1e6)
+    assert s.shape == (4,)
+
+    s = fl.get_s(np.array([[300, 400, 500, 600], [305, 405, 505, 605]]), 1e6)
+    assert s.shape == (2, 4)
+    s = fl.get_g(np.array([[300, 400, 500, 600], [305, 405, 505, 605]]), 1e6)
+    assert s.shape == (2, 4)
+    s = fl.get_g_rt(np.array([[300, 400, 500, 600], [305, 405, 505, 605]]), 1e6)
+    assert s.shape == (2, 4)
+    s = fl.get_h(np.array([[300, 400, 500, 600], [305, 405, 505, 605]]))
+    assert s.shape == (2, 4)
+    s = fl.get_cp(np.array([[300, 400, 500, 600], [305, 405, 505, 605]]))
+    assert s.shape == (2, 4)
+    s = fl.get_v(np.array([[300, 400, 500, 600], [305, 405, 505, 605]]), 1e6)
+    assert s.shape == (2, 4)
+    s = fl.get_density(np.array([[300, 400, 500, 600], [305, 405, 505, 605]]), 1e6)
+    assert s.shape == (2, 4)
+
+    s = fl.get_s(np.array([[300], [305]]), 1e6)
+    assert s.shape == (2, 1)
+    s = fl.get_g(np.array([[300], [305]]), 1e6)
+    assert s.shape == (2, 1)
+    s = fl.get_g_rt(np.array([[300], [305]]), 1e6)
+    assert s.shape == (2, 1)
+    s = fl.get_h(np.array([[300], [305]]))
+    assert s.shape == (2, 1)
+    s = fl.get_cp(np.array([[300], [305]]))
+    assert s.shape == (2, 1)
+    s = fl.get_v(np.array([[300], [305]]), 1e6)
+    assert s.shape == (2, 1)
+    s = fl.get_density(np.array([[300], [305]]), 1e6)
+    assert s.shape == (2, 1)
+
+
+def test_broadcast_temperature_ex():
+    fl = gp.fluid({'C2H4': 0.5, 'C2H6': 0.5}, fs, [2, 4])
+
+    assert fl.shape == (2, 4)
+
+    assert fl.array_fractions.shape == (2, 4, len(fs.species))
+
+    s = fl.get_s(np.array([300, 400, 500, 600]), 1e6)
+    assert s.shape == (2, 4)
+
+    s = fl.get_s(np.array([[300, 400, 500, 600], [305, 405, 505, 605]]), 1e6)
+    assert s.shape == (2, 4)
+
+    s = fl.get_s(np.array([[300], [305]]), 1e6)
+    assert s.shape == (2, 4)
+
+
+def test_broadcast_pressure():
+    fl = gp.fluid({'C2H4': 0.5, 'C2H6': 0.5}, fs)
+
+    assert fl.shape == tuple()
+
+    assert fl.array_fractions.shape == (len(fs.species),)
+
+    s = fl.get_s(800, np.array([1e5, 2e5, 3e5, 4e5]))
+    assert s.shape == (4,)
+    s = fl.get_g(800, np.array([1e5, 2e5, 3e5, 4e5]))
+    assert s.shape == (4,)
+    s = fl.get_g_rt(800, np.array([1e5, 2e5, 3e5, 4e5]))
+    assert s.shape == (4,)
+    s = fl.get_v(800, np.array([1e5, 2e5, 3e5, 4e5]))
+    assert s.shape == (4,)
+    s = fl.get_density(800, np.array([1e5, 2e5, 3e5, 4e5]))
+    assert s.shape == (4,)
+
+    s = fl.get_s(800, np.array([[1e5, 2e5, 3e5, 4e5], [1.5e5, 2.5e5, 3.5e5, 4.5e5]]))
+    assert s.shape == (2, 4)
+    s = fl.get_g(800, np.array([[1e5, 2e5, 3e5, 4e5], [1.5e5, 2.5e5, 3.5e5, 4.5e5]]))
+    assert s.shape == (2, 4)
+    s = fl.get_g_rt(800, np.array([[1e5, 2e5, 3e5, 4e5], [1.5e5, 2.5e5, 3.5e5, 4.5e5]]))
+    assert s.shape == (2, 4)
+    s = fl.get_v(800, np.array([[1e5, 2e5, 3e5, 4e5], [1.5e5, 2.5e5, 3.5e5, 4.5e5]]))
+    assert s.shape == (2, 4)
+    s = fl.get_density(800, np.array([[1e5, 2e5, 3e5, 4e5], [1.5e5, 2.5e5, 3.5e5, 4.5e5]]))
+    assert s.shape == (2, 4)
+
+    s = fl.get_s(800, np.array([[1e5], [1.5e5]]))
+    assert s.shape == (2, 1)
+    s = fl.get_g(800, np.array([[1e5], [1.5e5]]))
+    assert s.shape == (2, 1)
+    s = fl.get_g_rt(800, np.array([[1e5], [1.5e5]]))
+    assert s.shape == (2, 1)
+    s = fl.get_v(800, np.array([[1e5], [1.5e5]]))
+    assert s.shape == (2, 1)
+    s = fl.get_density(800, np.array([[1e5], [1.5e5]]))
+    assert s.shape == (2, 1)
+
+
+def test_equilibrium_on_temperature_range():
+    fl = gp.fluid({'C2H4': 0.5, 'C2H6': 0.5}, fs)
+    fl2 = gp.equilibrium(fl, np.linspace(300, 1000, 3), 1e5)
+
+    assert fl2.shape == (3,)
--- a/tests/test_doc_examples.py
+++ b/tests/test_doc_examples.py
@ -0,0 +1,52 @@
+import re
+from typing import Generator
+
+
+def convert_markdown_file(md_filename: str, out_filename: str):
+    with open(md_filename, "r") as f_in:
+        with open(out_filename, "w") as f_out:
+            f_out.write('def run_test():\n')
+            for block in markdown_to_code([line for line in f_in]):
+                f_out.write(block + '\n')
+
+
+def markdown_to_code(lines: list[str], language: str = "python") -> Generator[str, None, None]:
+    regex = re.compile(
+        r"(?P<start>^```\s*(?P<block_language>(\w|-)*)\n)(?P<code>.*?\n)(?P<end>```)",
+        re.DOTALL | re.MULTILINE,
+    )
+    blocks = [
+        (match.group("block_language"), match.group("code"))
+        for match in regex.finditer("".join(lines))
+    ]
+
+    ret_block_flag = False
+
+    for block_language, block in blocks:
+        if block_language == language:
+            lines = [line for line in block.splitlines() if line.strip()]
+            ret_block_flag = lines[-1] if '=' not in lines[-1] else None
+
+            yield ''
+            yield '    print("---------------------------------------------------------")'
+            yield ''
+            if ret_block_flag:
+                yield from ['    ' + str(line) for line in block.splitlines()[:-1]]
+            else:
+                yield from ['    ' + str(line) for line in block.splitlines()]
+            yield f'    print("-- Result (({ret_block_flag})):")'
+            yield f'    print(({ret_block_flag}).__repr__().strip())'
+
+        elif ret_block_flag:
+            yield '    ref_str = """'
+            yield from [str(line) for line in block.splitlines()]
+            yield '"""'
+            yield f'    print("-- Reference (({ret_block_flag})):")'
+            yield '    print(ref_str.strip())'
+            yield f'    assert ({ret_block_flag}).__repr__().strip() == ref_str.strip()'
+
+
+def test_readme():
+    convert_markdown_file('README.md', 'tests/autogenerated_readme.py')
+    import autogenerated_readme
+    autogenerated_readme.run_test()
--- a/tests/test_elements.py
+++ b/tests/test_elements.py
@ -0,0 +1,42 @@
+import gaspype as gp
+import pytest
+import numpy as np
+
+
+def test_elements_from_dict():
+    el = gp.elements({'Si': 1, 'H': 1, 'O': 1})
+    fl = gp.equilibrium(el, t=1000, p=1e5)
+
+    assert 'SiO' in el.fs.species and \
+           'SiH' in el.fs.species and \
+           'H2' in el.fs.species
+
+    assert fl.get_x('H2') == pytest.approx(0.3333, abs=0.5)
+
+
+def test_elements_from_dict_with_fs():
+    fs = gp.fluid_system('Si, O2, H2')
+    el = gp.elements({'Si': 1, 'O': 2}, fs)
+    fl = gp.equilibrium(el, t=1000, p=1e5)
+
+    assert 'SiO' not in el.fs.species and \
+           'Si' in el.fs.species and \
+           'O2' in el.fs.species
+
+    assert len(fl.fs.species) == 3
+    assert np.sum(el) == 3
+
+
+def test_elements_from_fluid():
+    fl = gp.fluid({'SiO': 1, 'H2': 1, 'O2': 1})
+    el = gp.elements(fl)
+
+    assert 'SiO' in el.fs.species and \
+           'SiH' not in el.fs.species and \
+           'O2' in el.fs.species and \
+           'H2' in el.fs.species
+
+
+def test_elements_mass():
+    el = gp.elements({'Si': 1, 'O': 2})
+    assert el.get_mass() == pytest.approx(0.0601, abs=0.0001)
--- a/tests/test_general.py
+++ b/tests/test_general.py
@ -0,0 +1,49 @@
+import gaspype as gp
+
+
+def test_set_and_read_solver():
+    tmp = gp.get_solver()
+    gp.set_solver('gibs minimization')
+    assert gp.get_solver() == 'gibs minimization'
+    gp.set_solver(tmp)
+
+
+def test_fluid_stacking_concat():
+    fl1 = gp.fluid({'O2': 1, 'N2': 0})
+    fl2 = gp.fluid({'N2': 1}, fl1.fs)
+
+    fl3 = gp.stack([fl1, fl2])
+    assert fl3.shape == (2,)
+
+    fl4 = gp.stack([fl3, fl3])
+    assert fl4.shape == (2, 2)
+
+    fl5 = gp.concat([fl3, fl3])
+    assert fl5.shape == (4,)
+
+
+def test_elements_stacking_concat():
+    el1 = gp.elements(gp.fluid({'O2': 1, 'N2': 0}))
+    el2 = gp.elements(gp.fluid({'N2': 1}), el1.fs)
+
+    assert el1.fs == el2.fs
+
+    el3 = gp.stack([el1, el2])
+    assert el3.shape == (2,)
+
+    el4 = gp.stack([el3, el3])
+    assert el4.shape == (2, 2)
+
+    el5 = gp.concat([el3, el3])
+    assert el5.shape == (4,)
+
+
+def test_element_casting():
+    fl1 = gp.fluid({'O2': 1, 'N2': 2, 'H2': 3})
+
+    el1 = gp.elements(fl1)
+    assert el1.get_elemental_composition() == {'N': 4.0, 'H': 6.0, 'O': 2.0}
+
+    fs = gp.fluid_system('H2, O2, N2')
+    el2 = gp.elements(fl1, fs)
+    assert el2.get_elemental_composition() == {'N': 4.0, 'H': 6.0, 'O': 2.0}
--- a/tests/test_membrane.py
+++ b/tests/test_membrane.py
@ -0,0 +1,58 @@
+import gaspype as gp
+# import gaspype.membrane as mb
+import pytest
+
+
+def test_oxygen_partial_pressure():
+    # Compare equalibrium calculation with oxygen_partial_pressure function
+    fs = gp.fluid_system('CO, CO2, H2, O2, H2O, N2')
+    fl = gp.fluid({'H2O': 0.99, 'H2': 0.01}, fs)
+
+    t = 2500
+
+    ox1 = gp.equilibrium(fl, t, 1e5).get_x('O2') * 1e5  # Pa
+    print(ox1)
+
+    ox2 = gp.oxygen_partial_pressure(fl, t, 1e5)
+    print(ox2)
+
+    assert ox1 == pytest.approx(ox2, abs=1e-1)  # type: ignore
+
+
+"""
+def test_voltage_potential():
+    fs = gp.fluid_system('CO, CO2, H2, O2, H2O, N2')
+    fl1 = gp.fluid({'H2O': 0.5, 'H2': 0.5}, fs)
+    fl2 = gp.fluid({'O2': 0.2, 'N2': 0.8}, fs)
+
+    potential = mb.voltage_potential(fl1, fl2, 300, 1e5)  # V
+    #assert potential == pytest.approx(1.1736986, abs=1e-4)
+
+    potential = mb.voltage_potential(fl1, fl2, 273.15 + 800, 1e5)  # V
+    assert potential == pytest.approx(0.9397330, abs=1e-4)
+
+    fl1 = gp.fluid({'H2O': 0.01, 'H2': 0.99}, fs)
+    fl2 = gp.fluid({'O2': 0.99, 'N2': 0.01}, fs)
+
+    potential = mb.voltage_potential(fl1, fl2, 273.15 + 800, 1e5)  # V
+    #assert potential == pytest.approx(1.18918092, abs=1e-4)
+
+    fl1 = gp.fluid({'H2O': 0.90, 'H2': 0.10}, fs)
+    fl2 = gp.fluid({'O2': 0.20, 'N2': 0.80}, fs)
+
+    potential = mb.voltage_potential(fl1, fl2, 273.15 + 800, 1e5)  # V
+    assert potential == pytest.approx(0.83813680, abs=1e-4)
+
+
+
+def test_voltage_potential_without_o2():
+    fl1 = gp.fluid({'H2O': 0.5, 'CO': 0, 'CO2': 0, 'H2': 0.5})
+    fs = gp.fluid_system('CO, CO2, H2, O2, H2O, N2')
+    fl2 = gp.fluid({'O2': 0.2, 'N2': 0.8}, fs)
+
+    potential = mb.voltage_potential(fl1, fl2, 300, 1e5)  # V
+    #assert potential == pytest.approx(1.1736986, abs=1e-4)
+
+    potential = mb.voltage_potential(fl1, fl2, 273.15 + 800, 1e5)  # V
+    #assert potential == pytest.approx(0.9397330, abs=1e-4)
+"""
--- a/tests/test_operations.py
+++ b/tests/test_operations.py
@ -0,0 +1,152 @@
+import gaspype as gp
+
+
+def test_op_same_fluid_systems():
+    fl1 = gp.fluid({'N2': 1, 'O2': 1})
+    fl2 = gp.fluid({'O2': 1}, fl1.fs)
+
+    fl_ret = fl1 + fl2
+
+    assert isinstance(fl_ret, gp.fluid)
+
+    assert fl1.fs is fl2.fs
+    assert fl_ret.fs is fl1.fs
+
+    fl_ret = fl1 - fl2
+
+    assert fl1.fs is fl2.fs
+    assert fl_ret.fs is fl1.fs
+
+
+def test_op_different_fluid_systems():
+    # no fs subset -> new fs
+    fl1 = gp.fluid({'N2': 1, 'O2': 1})
+    fl2 = gp.fluid({'NH3': 1, 'O2': 2})
+    fl_ret = fl1 + fl2
+
+    assert isinstance(fl_ret, gp.fluid)
+
+    assert fl1.fs is not fl_ret.fs
+    assert fl2.fs is not fl_ret.fs
+
+    # fl1 is a subset of fl2 -> fl_ret uses fs of fl2
+    fl1 = gp.fluid({'N2': 5, 'O2': 1})
+    fl2 = gp.fluid({'N2': 11, 'O2': 12, 'NH3': 20})
+
+    fl_ret = fl1 + fl2
+    assert fl1.fs is not fl_ret.fs
+    assert fl2.fs is fl_ret.fs
+
+    fl_ret = fl2 - fl1
+    assert fl1.fs is not fl_ret.fs
+    assert fl2.fs is fl_ret.fs
+    assert isinstance(fl_ret, gp.fluid)
+    assert fl_ret.total == 37
+
+
+def test_op_different_fluid_systems_elements():
+    # no fs subset -> new fs
+    fl1 = gp.fluid({'N2': 1, 'O2': 1})
+    fl2 = gp.fluid({'NH3': 1, 'O2': 2})
+
+    el_ret = gp.elements(fl1) + gp.elements(fl2)
+    assert fl1.fs is not el_ret.fs
+    assert fl2.fs is not el_ret.fs
+
+    el_ret = gp.elements(fl1) - gp.elements(fl2)
+    assert fl1.fs is not el_ret.fs
+    assert fl2.fs is not el_ret.fs
+
+    # fl1 is a subset of fl2 -> fl_ret uses fs of fl2
+    fl1 = gp.fluid({'N2': 1, 'O2': 1})
+    fl2 = gp.fluid({'N2': 1, 'O2': 1, 'NH3': 1})
+
+    el_ret = gp.elements(fl1) + gp.elements(fl2)
+    assert fl1.fs is not el_ret.fs
+    assert fl2.fs is el_ret.fs
+
+    el_ret = gp.elements(fl2) - gp.elements(fl1)
+    assert fl1.fs is not el_ret.fs
+    assert fl2.fs is el_ret.fs
+
+
+def test_op_different_fluid_systems_mixed():
+    # no fs subset -> new fs
+    fl1 = gp.fluid({'N2': 1, 'O2': 1})
+    fl2 = gp.fluid({'NH3': 1, 'O2': 2})
+
+    el_ret = fl1 + gp.elements(fl2)
+
+    assert isinstance(el_ret, gp.elements)
+
+    assert fl1.fs is not el_ret.fs
+    assert fl2.fs is not el_ret.fs
+
+    el_ret = gp.elements(fl1) + fl2
+    assert fl1.fs is not el_ret.fs
+    assert fl2.fs is not el_ret.fs
+    assert isinstance(el_ret, gp.elements)
+    assert {'H', 'O', 'N'} == el_ret.get_elemental_composition().keys()
+
+    # fl1 is a subset of fl2 -> fl_ret uses fs of fl2
+    fl1 = gp.fluid({'N2': 1, 'O2': 1})
+    fl2 = gp.fluid({'N2': 1, 'O2': 1, 'NH3': 1})
+
+    el_ret = gp.elements(fl1) + fl2
+    assert fl1.fs is not el_ret.fs
+    assert fl2.fs is el_ret.fs
+
+    el_ret = fl2 - gp.elements(fl1)
+    assert fl1.fs is not el_ret.fs
+    assert fl2.fs is el_ret.fs
+
+
+def test_op_elements_same_fluid_systems():
+    fs = gp.fluid_system('N2, O2')
+
+    el1 = gp.elements({'N': 1, 'O': 1}, fs)
+    el2 = gp.elements({'O': 1}, fs)
+
+    el_ret = el1 + el2
+
+    assert isinstance(el_ret, gp.elements)
+
+    assert el1.fs is el2.fs
+    assert el_ret.fs is el1.fs
+
+    el_ret = el1 - el2
+
+    assert el1.fs is el2.fs
+    assert el_ret.fs is el1.fs
+
+
+def test_op_elements_different_fluid_systems():
+    fs1 = gp.fluid_system('N2, O2')
+    fs2 = gp.fluid_system('O2')
+    el1 = gp.elements({'N': 1, 'O': 1}, fs1)
+    el2 = gp.elements({'O': 1}, fs2)
+
+    el_ret = el1 + el2
+
+    assert isinstance(el_ret, gp.elements)
+
+    assert el1.fs is not el2.fs
+    assert el2.fs is not el_ret.fs
+    assert el1.fs is el_ret.fs
+
+    el_ret = el1 - el2
+
+    assert el1.fs is not el2.fs
+    assert el2.fs is not el_ret.fs
+    assert el1.fs is el_ret.fs
+
+
+def test_op_tt():
+    fl = gp.fluid({'H2O': 1, 'H2': 2})
+    el = gp.elements({'N': 1, 'Cl': 2})
+
+    assert isinstance(fl + el, gp.elements)
+
+    assert 'H' in (fl + el).elements and \
+           'Cl' in (fl + el).elements and \
+           'O' in (fl + el).elements
--- a/tests/test_results.py
+++ b/tests/test_results.py
@ -0,0 +1,125 @@
+import gaspype as gp
+import numpy as np
+import pytest
+import pandas as pd
+
+
+def outp(arr, decr=''):
+    print(decr + '    '.join([f'{f*100:8.1f} %' for f in arr]))
+
+
+def check_gas_data(composition, reference_file, rel_error=3e-3):
+    test_data = np.genfromtxt(reference_file, delimiter='\t', skip_header=1)
+    fl = gp.fluid(composition)
+
+    h0, s0 = test_data[0, 3:5]
+    t0 = test_data[0, 0]
+
+    for t, p, roh, h, s, cp in test_data:
+        print(f'T = {t} K')
+        assert fl.get_v(t, p * 1e6) == pytest.approx(1e-3 / roh, rel=rel_error)
+        assert fl.get_h(t) - fl.get_h(t0) == pytest.approx(h - h0, rel=rel_error)
+        assert fl.get_s(t, p * 1e6) - fl.get_s(t0, p * 1e6) == pytest.approx(s - s0, rel=rel_error)
+        assert fl.get_cp(t) == pytest.approx(cp, rel=rel_error)
+
+
+def test_density_vs_volume():
+    fl = gp.fluid({sp: 1 for sp in gp.species('C#H#(|OH)')})
+
+    t = 858
+    p = 2.56e5
+
+    assert fl.get_density(t, p) == pytest.approx(fl.get_mass() / fl.get_v(t, p))
+
+
+def test_volume():
+    fl = gp.fluid({'O2': 1})  # 1 mol oxygen
+
+    t = 273.15  # K
+    p = 1e5  # Pa
+    v_ref = 22.710954  # l
+
+    assert fl.get_v(t, p) == pytest.approx(v_ref / 1000)
+
+
+def test_h2_data():
+    # Compare results to Refprop calculation
+    check_gas_data({'H2': 1}, 'tests/test_data/test_data_h2.tsv')
+
+
+def test_nh3_data():
+    # Compare results to Refprop calculation
+    check_gas_data({'NH3': 1}, 'tests/test_data/test_data_nh3_ht.tsv', 4e-2)
+
+
+def test_equilibrium():
+    # Compare equilibrium calculations to Cycle-Tempo results
+    df = pd.read_csv('tests/test_data/cycle_temp_matlab_ref.csv', sep=';', decimal=',').fillna(0)
+    fs = gp.fluid_system(['CH4', 'C2H6', 'C3H8', 'C4H10,n-butane', 'H2O', 'H2', 'CO2', 'CO'])
+
+    for index, row in df.iterrows():
+        compositions = {'CH4': row['m CH4 /g/s'],
+                        'C2H6': row['m C2H6 /g/s'],
+                        'C3H8': row['m C3H8 /g/s'],
+                        'C4H10,n-butane': row['m C4H10 /g/s'],
+                        'H2O': row['m H2O /g/s']
+                        }
+
+        reference_values = [v for v in row[
+            ['x CH4.1', 'x C2H6', 'x C3H8', 'x C4H10',
+             'x H2O.1', 'x H2', 'x CO2', 'x CO']]]
+
+        t = row['T /°C'] + 273.15
+        p = row['p /bar abs'] * 1e5
+        carbon = row['x C(s)']
+
+        # Compare only results without solid carbon in the equilibrium because
+        # this code does not consider solids
+        if carbon == 0:
+            mass_comp = np.array([compositions[s] if s in compositions else 0 for s in fs.species])
+            molar_comp = mass_comp / fs.array_molar_mass / np.sum(mass_comp / fs.array_molar_mass)
+
+            fl = gp.fluid(molar_comp, fs)
+
+            result_values = gp.equilibrium(fl, t, p).array_fractions
+
+            print(index, gp.get_solver(), '----')
+            print(molar_comp)
+            outp(result_values, 'Under test: ')
+            outp(reference_values, 'Reference:  ')
+
+            assert result_values == pytest.approx(reference_values, abs=1e-3, rel=0.01)
+
+
+def test_carbon():
+    # Compare if solid carbon is in equilibrium present to Cycle-Tempo results
+    df = pd.read_csv('tests/test_data/cycle_temp_matlab_ref.csv', sep=';', decimal=',').fillna(0)
+    fs = gp.fluid_system(['CH4', 'C2H6', 'C3H8', 'C4H10,n-butane', 'H2O', 'H2', 'CO2', 'CO'])
+
+    for index, row in df.iterrows():
+        compositions = {'CH4': row['m CH4 /g/s'],
+                        'C2H6': row['m C2H6 /g/s'],
+                        'C3H8': row['m C3H8 /g/s'],
+                        'C4H10,n-butane': row['m C4H10 /g/s'],
+                        'H2O': row['m H2O /g/s']
+                        }
+
+        t = row['T /°C'] + 273.15
+        p = row['p /bar abs'] * 1e5
+        carbon = row['x C(s)']
+
+        mass_comp = np.array([compositions[s] if s in compositions else 0 for s in fs.species])
+        molar_comp = mass_comp / fs.array_molar_mass / np.sum(mass_comp / fs.array_molar_mass)
+
+        fl = gp.fluid(molar_comp, fs)
+
+        result_values = gp.carbon_activity(fl, t, p)
+
+        print('----')
+        print(f'Under test, carbon activity:     {result_values}')
+        print(f'Reference carbon amount in mol:  {carbon}')
+
+        if carbon > 0:
+            assert result_values > 0.9
+        else:
+            assert result_values < 1.1
--- a/tests/test_results_cantera.py
+++ b/tests/test_results_cantera.py
@ -0,0 +1,49 @@
+import gaspype as gp
+import numpy as np
+# import pytest
+import cantera as ct  # type: ignore
+
+
+def test_equilibrium_cantera():
+    # Compare equilibrium calculations to Cantera results
+
+    # gp.set_solver('system of equations')
+    # gp.set_solver('gibs minimization')
+
+    # fs = gp.fluid_system(['CH4', 'C2H6', 'C3H8', 'H2O', 'H2', 'CO2', 'CO', 'O2'])
+    fs = gp.fluid_system(['CH4', 'H2O', 'H2', 'CO2', 'CO', 'O2'])
+    # fs = gp.fluid_system([s for s in flow1.species_names if s in gps])
+
+    composition = gp.fluid({'H2': 1}, fs) +\
+        gp.fluid({'CH4': 1}, fs) * np.linspace(0, 0.05, 30) +\
+        gp.fluid({'O2': 1}, fs) * np.expand_dims(np.linspace(0, 0.5, 30), axis=1)
+
+    t = 1495 + 273.15  # K
+    p = 1e5  # Pa
+
+    fl = gp.equilibrium(composition, t, p)
+    data = fl.get_x()
+    gp_result_array = np.reshape(data, (data.shape[0] * data.shape[1], data.shape[2]))
+
+    flow1 = ct.Solution('gri30.yaml')  # type: ignore
+    ct_results = []
+    comp = (composition.array_fractions[i, j] for i in range(composition.shape[0]) for j in range(composition.shape[1]))
+    for c in comp:
+        comp_dict = {s: v for s, v in zip(fs.species, c)}
+
+        flow1.TP = t, p
+        flow1.X = comp_dict
+        flow1.equilibrate('TP')  # type: ignore
+        indeces = [i for flsn in fs.active_species for i, sn in enumerate(flow1.species_names) if flsn == sn]  # type: ignore
+        ct_results.append(flow1.X[indeces])  # type: ignore
+
+        #if flow1.X[indeces][0] > 0.01:
+        #    print(flow1.X[indeces])
+
+    ct_result_array = np.stack(ct_results)  # type: ignore
+
+    max_deviation = np.max(np.abs((gp_result_array - ct_result_array)))
+    mean_deviation = np.mean(np.abs((gp_result_array - ct_result_array)))
+
+    assert max_deviation < 0.04
+    assert mean_deviation < 2e-4
--- a/tests/test_slicing.py
+++ b/tests/test_slicing.py
@ -0,0 +1,39 @@
+import gaspype as gp
+import numpy as np
+
+fs = gp.fluid_system('CO, CO2, H2, O2, H2O, N2')
+
+fl = gp.fluid({'H2O': 0.99, 'H2': 0.01}, fs) * np.ones([2, 3, 4])
+el = gp.elements(fl)
+
+
+def test_str_index():
+    assert fl['CO2'].shape == (2, 3, 4)
+    assert el['C'].shape == (2, 3, 4)
+
+
+def test_str_list_index():
+    assert fl[['CO2', 'H2', 'CO']].shape == (2, 3, 4, 3)
+    assert el[['C', 'H', 'O']].shape == (2, 3, 4, 3)
+
+
+def test_int_list_index():
+    assert fl[[1, 2, 0, 5]].shape == (2, 3, 4, 4)
+    assert el[[1, 2, 0, 3]].shape == (2, 3, 4, 4)
+
+
+def test_mixed_list_index():
+    assert el[[1, 'H', 0, 'O']].shape == (2, 3, 4, 4)
+
+
+def test_int_index():
+    assert fl[5].shape == (2, 3, 4)
+    assert el[-1].shape == (2, 3, 4)
+
+
+def test_slice_index():
+    assert fl[0:3].shape == (2, 3, 4, 3)
+    assert fl[:].shape == (2, 3, 4, 6)
+
+    assert el[0:3].shape == (2, 3, 4, 3)
+    assert el[:].shape == (2, 3, 4, 4)
--- a/tests/test_species.py
+++ b/tests/test_species.py
@ -0,0 +1,24 @@
+import gaspype as gp
+
+
+def test_patter_filter():
+    species_list = gp.species('H*O')
+    assert 'H2O' in species_list
+
+
+def test_regex_filter():
+    species_list = gp.species('H.*O', use_regex=True)
+    assert 'H2O' in species_list
+
+
+def test_element_filter():
+    species_list = gp.species(element_names='O, Cl')
+    assert 'ClO2' in species_list
+
+    species_list = gp.species(element_names=['O', 'Cl'])
+    assert 'ClO2' in species_list and 'Cl2' in species_list and 'O2' in species_list
+
+
+def test_combined_filter():
+    species_list = gp.species('Cl*', 'O, Cl')
+    assert 'ClO2' in species_list and 'Cl2' in species_list and 'O2' not in species_list
--- a/tests/test_to_pandas.py
+++ b/tests/test_to_pandas.py
@ -0,0 +1,23 @@
+import gaspype as gp
+import numpy as np
+import pandas as pd
+
+
+def test_fluid():
+    fl = gp.fluid({'O2': 1, 'H2': 2, 'H2O': 3})
+
+    df = pd.DataFrame(list(fl))
+    assert df.shape == (1, 3)
+
+    df = pd.DataFrame(list(fl * np.array([1, 2, 3, 4])))
+    assert df.shape == (4, 3)
+
+
+def test_elements():
+    fl = gp.fluid({'O2': 1, 'H2': 2, 'H2O': 3})
+
+    df = pd.DataFrame(list(gp.elements(fl)))
+    assert df.shape == (1, 2)
+
+    df = pd.DataFrame(list(gp.elements(fl * np.array([1, 2, 3, 4]))))
+    assert df.shape == (4, 2)