partition stringclasses 3
values | func_name stringlengths 1 134 | docstring stringlengths 1 46.9k | path stringlengths 4 223 | original_string stringlengths 75 104k | code stringlengths 75 104k | docstring_tokens listlengths 1 1.97k | repo stringlengths 7 55 | language stringclasses 1
value | url stringlengths 87 315 | code_tokens listlengths 19 28.4k | sha stringlengths 40 40 |
|---|---|---|---|---|---|---|---|---|---|---|---|
valid | K_value | r'''Calculates the equilibrium K-value assuming Raoult's law,
or an equation of state model, or an activity coefficient model,
or a combined equation of state-activity model.
The calculation procedure will use the most advanced approach with the
provided inputs:
* If `P`, `Psat`, `phi_l`, `phi... | thermo/activity.py | def K_value(P=None, Psat=None, phi_l=None, phi_g=None, gamma=None, Poynting=1):
r'''Calculates the equilibrium K-value assuming Raoult's law,
or an equation of state model, or an activity coefficient model,
or a combined equation of state-activity model.
The calculation procedure will use the most adva... | def K_value(P=None, Psat=None, phi_l=None, phi_g=None, gamma=None, Poynting=1):
r'''Calculates the equilibrium K-value assuming Raoult's law,
or an equation of state model, or an activity coefficient model,
or a combined equation of state-activity model.
The calculation procedure will use the most adva... | [
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valid | Rachford_Rice_flash_error | r'''Calculates the objective function of the Rachford-Rice flash equation.
This function should be called by a solver seeking a solution to a flash
calculation. The unknown variable is `V_over_F`, for which a solution
must be between 0 and 1.
.. math::
\sum_i \frac{z_i(K_i-1)}{1 + \frac{V}{F}(K... | thermo/activity.py | def Rachford_Rice_flash_error(V_over_F, zs, Ks):
r'''Calculates the objective function of the Rachford-Rice flash equation.
This function should be called by a solver seeking a solution to a flash
calculation. The unknown variable is `V_over_F`, for which a solution
must be between 0 and 1.
.. math... | def Rachford_Rice_flash_error(V_over_F, zs, Ks):
r'''Calculates the objective function of the Rachford-Rice flash equation.
This function should be called by a solver seeking a solution to a flash
calculation. The unknown variable is `V_over_F`, for which a solution
must be between 0 and 1.
.. math... | [
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valid | Rachford_Rice_solution | r'''Solves the objective function of the Rachford-Rice flash equation.
Uses the method proposed in [2]_ to obtain an initial guess.
.. math::
\sum_i \frac{z_i(K_i-1)}{1 + \frac{V}{F}(K_i-1)} = 0
Parameters
----------
zs : list[float]
Overall mole fractions of all species, [-]
K... | thermo/activity.py | def Rachford_Rice_solution(zs, Ks):
r'''Solves the objective function of the Rachford-Rice flash equation.
Uses the method proposed in [2]_ to obtain an initial guess.
.. math::
\sum_i \frac{z_i(K_i-1)}{1 + \frac{V}{F}(K_i-1)} = 0
Parameters
----------
zs : list[float]
Overall ... | def Rachford_Rice_solution(zs, Ks):
r'''Solves the objective function of the Rachford-Rice flash equation.
Uses the method proposed in [2]_ to obtain an initial guess.
.. math::
\sum_i \frac{z_i(K_i-1)}{1 + \frac{V}{F}(K_i-1)} = 0
Parameters
----------
zs : list[float]
Overall ... | [
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valid | Li_Johns_Ahmadi_solution | r'''Solves the objective function of the Li-Johns-Ahmadi flash equation.
Uses the method proposed in [1]_ to obtain an initial guess.
.. math::
0 = 1 + \left(\frac{K_{max}-K_{min}}{K_{min}-1}\right)x_1
+ \sum_{i=2}^{n-1}\frac{K_i-K_{min}}{K_{min}-1}\left[\frac{z_i(K_{max}
-1)x_{max}}{(K... | thermo/activity.py | def Li_Johns_Ahmadi_solution(zs, Ks):
r'''Solves the objective function of the Li-Johns-Ahmadi flash equation.
Uses the method proposed in [1]_ to obtain an initial guess.
.. math::
0 = 1 + \left(\frac{K_{max}-K_{min}}{K_{min}-1}\right)x_1
+ \sum_{i=2}^{n-1}\frac{K_i-K_{min}}{K_{min}-1}\lef... | def Li_Johns_Ahmadi_solution(zs, Ks):
r'''Solves the objective function of the Li-Johns-Ahmadi flash equation.
Uses the method proposed in [1]_ to obtain an initial guess.
.. math::
0 = 1 + \left(\frac{K_{max}-K_{min}}{K_{min}-1}\right)x_1
+ \sum_{i=2}^{n-1}\frac{K_i-K_{min}}{K_{min}-1}\lef... | [
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valid | flash_inner_loop | r'''This function handles the solution of the inner loop of a flash
calculation, solving for liquid and gas mole fractions and vapor fraction
based on specified overall mole fractions and K values. As K values are
weak functions of composition, this should be called repeatedly by an outer
loop. Will aut... | thermo/activity.py | def flash_inner_loop(zs, Ks, AvailableMethods=False, Method=None):
r'''This function handles the solution of the inner loop of a flash
calculation, solving for liquid and gas mole fractions and vapor fraction
based on specified overall mole fractions and K values. As K values are
weak functions of compo... | def flash_inner_loop(zs, Ks, AvailableMethods=False, Method=None):
r'''This function handles the solution of the inner loop of a flash
calculation, solving for liquid and gas mole fractions and vapor fraction
based on specified overall mole fractions and K values. As K values are
weak functions of compo... | [
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valid | NRTL | r'''Calculates the activity coefficients of each species in a mixture
using the Non-Random Two-Liquid (NRTL) method, given their mole fractions,
dimensionless interaction parameters, and nonrandomness constants. Those
are normally correlated with temperature in some form, and need to be
calculated separ... | thermo/activity.py | def NRTL(xs, taus, alphas):
r'''Calculates the activity coefficients of each species in a mixture
using the Non-Random Two-Liquid (NRTL) method, given their mole fractions,
dimensionless interaction parameters, and nonrandomness constants. Those
are normally correlated with temperature in some form, and... | def NRTL(xs, taus, alphas):
r'''Calculates the activity coefficients of each species in a mixture
using the Non-Random Two-Liquid (NRTL) method, given their mole fractions,
dimensionless interaction parameters, and nonrandomness constants. Those
are normally correlated with temperature in some form, and... | [
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valid | Wilson | r'''Calculates the activity coefficients of each species in a mixture
using the Wilson method, given their mole fractions, and
dimensionless interaction parameters. Those are normally correlated with
temperature, and need to be calculated separately.
.. math::
\ln \gamma_i = 1 - \ln \left(\sum_... | thermo/activity.py | def Wilson(xs, params):
r'''Calculates the activity coefficients of each species in a mixture
using the Wilson method, given their mole fractions, and
dimensionless interaction parameters. Those are normally correlated with
temperature, and need to be calculated separately.
.. math::
\ln \g... | def Wilson(xs, params):
r'''Calculates the activity coefficients of each species in a mixture
using the Wilson method, given their mole fractions, and
dimensionless interaction parameters. Those are normally correlated with
temperature, and need to be calculated separately.
.. math::
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valid | UNIQUAC | r'''Calculates the activity coefficients of each species in a mixture
using the Universal quasi-chemical (UNIQUAC) equation, given their mole
fractions, `rs`, `qs`, and dimensionless interaction parameters. The
interaction parameters are normally correlated with temperature, and need
to be calculated se... | thermo/activity.py | def UNIQUAC(xs, rs, qs, taus):
r'''Calculates the activity coefficients of each species in a mixture
using the Universal quasi-chemical (UNIQUAC) equation, given their mole
fractions, `rs`, `qs`, and dimensionless interaction parameters. The
interaction parameters are normally correlated with temperatur... | def UNIQUAC(xs, rs, qs, taus):
r'''Calculates the activity coefficients of each species in a mixture
using the Universal quasi-chemical (UNIQUAC) equation, given their mole
fractions, `rs`, `qs`, and dimensionless interaction parameters. The
interaction parameters are normally correlated with temperatur... | [
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... | 3857ed023a3e64fd3039a32d53576c24990ef1c3 |
valid | bubble_at_T | >>> bubble_at_T([0.5, 0.5], [1400, 7000])
4200.0
>>> bubble_at_T([0.5, 0.5], [1400, 7000], gammas=[1.1, .75])
3395.0
>>> bubble_at_T([0.5, 0.5], [1400, 7000], gammas=[1.1, .75], fugacities=[.995, 0.98])
3452.440775305097 | thermo/activity.py | def bubble_at_T(zs, Psats, fugacities=None, gammas=None):
'''
>>> bubble_at_T([0.5, 0.5], [1400, 7000])
4200.0
>>> bubble_at_T([0.5, 0.5], [1400, 7000], gammas=[1.1, .75])
3395.0
>>> bubble_at_T([0.5, 0.5], [1400, 7000], gammas=[1.1, .75], fugacities=[.995, 0.98])
3452.440775305097
'''
... | def bubble_at_T(zs, Psats, fugacities=None, gammas=None):
'''
>>> bubble_at_T([0.5, 0.5], [1400, 7000])
4200.0
>>> bubble_at_T([0.5, 0.5], [1400, 7000], gammas=[1.1, .75])
3395.0
>>> bubble_at_T([0.5, 0.5], [1400, 7000], gammas=[1.1, .75], fugacities=[.995, 0.98])
3452.440775305097
'''
... | [
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valid | identify_phase | r'''Determines the phase of a one-species chemical system according to
basic rules, using whatever information is available. Considers only the
phases liquid, solid, and gas; does not consider two-phase
scenarios, as should occurs between phase boundaries.
* If the melting temperature is known and the ... | thermo/activity.py | def identify_phase(T, P, Tm=None, Tb=None, Tc=None, Psat=None):
r'''Determines the phase of a one-species chemical system according to
basic rules, using whatever information is available. Considers only the
phases liquid, solid, and gas; does not consider two-phase
scenarios, as should occurs between p... | def identify_phase(T, P, Tm=None, Tb=None, Tc=None, Psat=None):
r'''Determines the phase of a one-species chemical system according to
basic rules, using whatever information is available. Considers only the
phases liquid, solid, and gas; does not consider two-phase
scenarios, as should occurs between p... | [
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valid | identify_phase_mixture | >>> identify_phase_mixture(T=280, P=5000., zs=[0.5, 0.5], Psats=[1400, 7000])
('l', [0.5, 0.5], None, 0)
>>> identify_phase_mixture(T=280, P=3000., zs=[0.5, 0.5], Psats=[1400, 7000])
('two-phase', [0.7142857142857143, 0.2857142857142857], [0.33333333333333337, 0.6666666666666666], 0.5625000000000001)
>>... | thermo/activity.py | def identify_phase_mixture(T=None, P=None, zs=None, Tcs=None, Pcs=None,
Psats=None, CASRNs=None,
AvailableMethods=False, Method=None): # pragma: no cover
'''
>>> identify_phase_mixture(T=280, P=5000., zs=[0.5, 0.5], Psats=[1400, 7000])
('l', [0.5, 0.5],... | def identify_phase_mixture(T=None, P=None, zs=None, Tcs=None, Pcs=None,
Psats=None, CASRNs=None,
AvailableMethods=False, Method=None): # pragma: no cover
'''
>>> identify_phase_mixture(T=280, P=5000., zs=[0.5, 0.5], Psats=[1400, 7000])
('l', [0.5, 0.5],... | [
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"... | 3857ed023a3e64fd3039a32d53576c24990ef1c3 |
valid | Pbubble_mixture | >>> Pbubble_mixture(zs=[0.5, 0.5], Psats=[1400, 7000])
4200.0 | thermo/activity.py | def Pbubble_mixture(T=None, zs=None, Psats=None, CASRNs=None,
AvailableMethods=False, Method=None): # pragma: no cover
'''
>>> Pbubble_mixture(zs=[0.5, 0.5], Psats=[1400, 7000])
4200.0
'''
def list_methods():
methods = []
if none_and_length_check((Psats, zs)):
... | def Pbubble_mixture(T=None, zs=None, Psats=None, CASRNs=None,
AvailableMethods=False, Method=None): # pragma: no cover
'''
>>> Pbubble_mixture(zs=[0.5, 0.5], Psats=[1400, 7000])
4200.0
'''
def list_methods():
methods = []
if none_and_length_check((Psats, zs)):
... | [
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valid | bubble_at_P | Calculates bubble point for a given pressure
Parameters
----------
P : float
Pressure, [Pa]
zs : list[float]
Overall mole fractions of all species, [-]
vapor_pressure_eqns : list[functions]
Temperature dependent function for each specie, Returns Psat, [Pa]
fugacities : l... | thermo/activity.py | def bubble_at_P(P, zs, vapor_pressure_eqns, fugacities=None, gammas=None):
'''Calculates bubble point for a given pressure
Parameters
----------
P : float
Pressure, [Pa]
zs : list[float]
Overall mole fractions of all species, [-]
vapor_pressure_eqns : list[functions]
Tem... | def bubble_at_P(P, zs, vapor_pressure_eqns, fugacities=None, gammas=None):
'''Calculates bubble point for a given pressure
Parameters
----------
P : float
Pressure, [Pa]
zs : list[float]
Overall mole fractions of all species, [-]
vapor_pressure_eqns : list[functions]
Tem... | [
"Calculates",
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] | CalebBell/thermo | python | https://github.com/CalebBell/thermo/blob/3857ed023a3e64fd3039a32d53576c24990ef1c3/thermo/activity.py#L1039-L1070 | [
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valid | Pdew_mixture | >>> Pdew_mixture(zs=[0.5, 0.5], Psats=[1400, 7000])
2333.3333333333335 | thermo/activity.py | def Pdew_mixture(T=None, zs=None, Psats=None, CASRNs=None,
AvailableMethods=False, Method=None): # pragma: no cover
'''
>>> Pdew_mixture(zs=[0.5, 0.5], Psats=[1400, 7000])
2333.3333333333335
'''
def list_methods():
methods = []
if none_and_length_check((Psats, zs)):... | def Pdew_mixture(T=None, zs=None, Psats=None, CASRNs=None,
AvailableMethods=False, Method=None): # pragma: no cover
'''
>>> Pdew_mixture(zs=[0.5, 0.5], Psats=[1400, 7000])
2333.3333333333335
'''
def list_methods():
methods = []
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valid | Chemical.draw_2d | r'''Interface for drawing a 2D image of the molecule.
Requires an HTML5 browser, and the libraries RDKit and
IPython. An exception is raised if either of these libraries is
absent.
Parameters
----------
width : int
Number of pixels wide for the view
h... | thermo/chemical.py | def draw_2d(self, width=300, height=300, Hs=False): # pragma: no cover
r'''Interface for drawing a 2D image of the molecule.
Requires an HTML5 browser, and the libraries RDKit and
IPython. An exception is raised if either of these libraries is
absent.
Parameters
--------... | def draw_2d(self, width=300, height=300, Hs=False): # pragma: no cover
r'''Interface for drawing a 2D image of the molecule.
Requires an HTML5 browser, and the libraries RDKit and
IPython. An exception is raised if either of these libraries is
absent.
Parameters
--------... | [
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valid | Chemical.draw_3d | r'''Interface for drawing an interactive 3D view of the molecule.
Requires an HTML5 browser, and the libraries RDKit, pymol3D, and
IPython. An exception is raised if all three of these libraries are
not installed.
Parameters
----------
width : int
Number of p... | thermo/chemical.py | def draw_3d(self, width=300, height=500, style='stick', Hs=True): # pragma: no cover
r'''Interface for drawing an interactive 3D view of the molecule.
Requires an HTML5 browser, and the libraries RDKit, pymol3D, and
IPython. An exception is raised if all three of these libraries are
not ... | def draw_3d(self, width=300, height=500, style='stick', Hs=True): # pragma: no cover
r'''Interface for drawing an interactive 3D view of the molecule.
Requires an HTML5 browser, and the libraries RDKit, pymol3D, and
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valid | Chemical.Um | r'''Internal energy of the chemical at its current temperature and
pressure, in units of [J/mol].
This property requires that :obj:`thermo.chemical.set_thermo` ran
successfully to be accurate.
It also depends on the molar volume of the chemical at its current
conditions. | thermo/chemical.py | def Um(self):
r'''Internal energy of the chemical at its current temperature and
pressure, in units of [J/mol].
This property requires that :obj:`thermo.chemical.set_thermo` ran
successfully to be accurate.
It also depends on the molar volume of the chemical at its current
... | def Um(self):
r'''Internal energy of the chemical at its current temperature and
pressure, in units of [J/mol].
This property requires that :obj:`thermo.chemical.set_thermo` ran
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valid | Chemical.Am | r'''Helmholtz energy of the chemical at its current temperature and
pressure, in units of [J/mol].
This property requires that :obj:`thermo.chemical.set_thermo` ran
successfully to be accurate.
It also depends on the molar volume of the chemical at its current
conditions. | thermo/chemical.py | def Am(self):
r'''Helmholtz energy of the chemical at its current temperature and
pressure, in units of [J/mol].
This property requires that :obj:`thermo.chemical.set_thermo` ran
successfully to be accurate.
It also depends on the molar volume of the chemical at its current
... | def Am(self):
r'''Helmholtz energy of the chemical at its current temperature and
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valid | Chemical.A | r'''Helmholtz energy of the chemical at its current temperature and
pressure, in units of [J/kg].
This property requires that :obj:`thermo.chemical.set_thermo` ran
successfully to be accurate.
It also depends on the molar volume of the chemical at its current
conditions. | thermo/chemical.py | def A(self):
r'''Helmholtz energy of the chemical at its current temperature and
pressure, in units of [J/kg].
This property requires that :obj:`thermo.chemical.set_thermo` ran
successfully to be accurate.
It also depends on the molar volume of the chemical at its current
... | def A(self):
r'''Helmholtz energy of the chemical at its current temperature and
pressure, in units of [J/kg].
This property requires that :obj:`thermo.chemical.set_thermo` ran
successfully to be accurate.
It also depends on the molar volume of the chemical at its current
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valid | Chemical.charge | r'''Charge of a chemical, computed with RDKit from a chemical's SMILES.
If RDKit is not available, holds None.
Examples
--------
>>> Chemical('sodium ion').charge
1 | thermo/chemical.py | def charge(self):
r'''Charge of a chemical, computed with RDKit from a chemical's SMILES.
If RDKit is not available, holds None.
Examples
--------
>>> Chemical('sodium ion').charge
1
'''
try:
if not self.rdkitmol:
return charge... | def charge(self):
r'''Charge of a chemical, computed with RDKit from a chemical's SMILES.
If RDKit is not available, holds None.
Examples
--------
>>> Chemical('sodium ion').charge
1
'''
try:
if not self.rdkitmol:
return charge... | [
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valid | Chemical.rdkitmol | r'''RDKit object of the chemical, without hydrogen. If RDKit is not
available, holds None.
For examples of what can be done with RDKit, see
`their website <http://www.rdkit.org/docs/GettingStartedInPython.html>`_. | thermo/chemical.py | def rdkitmol(self):
r'''RDKit object of the chemical, without hydrogen. If RDKit is not
available, holds None.
For examples of what can be done with RDKit, see
`their website <http://www.rdkit.org/docs/GettingStartedInPython.html>`_.
'''
if self.__rdkitmol:
r... | def rdkitmol(self):
r'''RDKit object of the chemical, without hydrogen. If RDKit is not
available, holds None.
For examples of what can be done with RDKit, see
`their website <http://www.rdkit.org/docs/GettingStartedInPython.html>`_.
'''
if self.__rdkitmol:
r... | [
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valid | Chemical.rdkitmol_Hs | r'''RDKit object of the chemical, with hydrogen. If RDKit is not
available, holds None.
For examples of what can be done with RDKit, see
`their website <http://www.rdkit.org/docs/GettingStartedInPython.html>`_. | thermo/chemical.py | def rdkitmol_Hs(self):
r'''RDKit object of the chemical, with hydrogen. If RDKit is not
available, holds None.
For examples of what can be done with RDKit, see
`their website <http://www.rdkit.org/docs/GettingStartedInPython.html>`_.
'''
if self.__rdkitmol_Hs:
... | def rdkitmol_Hs(self):
r'''RDKit object of the chemical, with hydrogen. If RDKit is not
available, holds None.
For examples of what can be done with RDKit, see
`their website <http://www.rdkit.org/docs/GettingStartedInPython.html>`_.
'''
if self.__rdkitmol_Hs:
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valid | Chemical.Hill | r'''Hill formula of a compound. For a description of the Hill system,
see :obj:`thermo.elements.atoms_to_Hill`.
Examples
--------
>>> Chemical('furfuryl alcohol').Hill
'C5H6O2' | thermo/chemical.py | def Hill(self):
r'''Hill formula of a compound. For a description of the Hill system,
see :obj:`thermo.elements.atoms_to_Hill`.
Examples
--------
>>> Chemical('furfuryl alcohol').Hill
'C5H6O2'
'''
if self.__Hill:
return self.__Hill
els... | def Hill(self):
r'''Hill formula of a compound. For a description of the Hill system,
see :obj:`thermo.elements.atoms_to_Hill`.
Examples
--------
>>> Chemical('furfuryl alcohol').Hill
'C5H6O2'
'''
if self.__Hill:
return self.__Hill
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valid | Chemical.atom_fractions | r'''Dictionary of atom:fractional occurence of the elements in a
chemical. Useful when performing element balances. For mass-fraction
occurences, see :obj:`mass_fractions`.
Examples
--------
>>> Chemical('Ammonium aluminium sulfate').atom_fractions
{'H': 0.25, 'S': 0.125... | thermo/chemical.py | def atom_fractions(self):
r'''Dictionary of atom:fractional occurence of the elements in a
chemical. Useful when performing element balances. For mass-fraction
occurences, see :obj:`mass_fractions`.
Examples
--------
>>> Chemical('Ammonium aluminium sulfate').atom_fracti... | def atom_fractions(self):
r'''Dictionary of atom:fractional occurence of the elements in a
chemical. Useful when performing element balances. For mass-fraction
occurences, see :obj:`mass_fractions`.
Examples
--------
>>> Chemical('Ammonium aluminium sulfate').atom_fracti... | [
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"mass_frac... | CalebBell/thermo | python | https://github.com/CalebBell/thermo/blob/3857ed023a3e64fd3039a32d53576c24990ef1c3/thermo/chemical.py#L1280-L1294 | [
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valid | Chemical.mass_fractions | r'''Dictionary of atom:mass-weighted fractional occurence of elements.
Useful when performing mass balances. For atom-fraction occurences, see
:obj:`atom_fractions`.
Examples
--------
>>> Chemical('water').mass_fractions
{'H': 0.11189834407236524, 'O': 0.8881016559276347... | thermo/chemical.py | def mass_fractions(self):
r'''Dictionary of atom:mass-weighted fractional occurence of elements.
Useful when performing mass balances. For atom-fraction occurences, see
:obj:`atom_fractions`.
Examples
--------
>>> Chemical('water').mass_fractions
{'H': 0.11189834... | def mass_fractions(self):
r'''Dictionary of atom:mass-weighted fractional occurence of elements.
Useful when performing mass balances. For atom-fraction occurences, see
:obj:`atom_fractions`.
Examples
--------
>>> Chemical('water').mass_fractions
{'H': 0.11189834... | [
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valid | Chemical.legal_status | r'''Dictionary of legal status indicators for the chemical.
Examples
--------
>>> pprint(Chemical('benzene').legal_status)
{'DSL': 'LISTED',
'EINECS': 'LISTED',
'NLP': 'UNLISTED',
'SPIN': 'LISTED',
'TSCA': 'LISTED'} | thermo/chemical.py | def legal_status(self):
r'''Dictionary of legal status indicators for the chemical.
Examples
--------
>>> pprint(Chemical('benzene').legal_status)
{'DSL': 'LISTED',
'EINECS': 'LISTED',
'NLP': 'UNLISTED',
'SPIN': 'LISTED',
'TSCA': 'LISTED'}
... | def legal_status(self):
r'''Dictionary of legal status indicators for the chemical.
Examples
--------
>>> pprint(Chemical('benzene').legal_status)
{'DSL': 'LISTED',
'EINECS': 'LISTED',
'NLP': 'UNLISTED',
'SPIN': 'LISTED',
'TSCA': 'LISTED'}
... | [
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valid | Chemical.economic_status | r'''Dictionary of economic status indicators for the chemical.
Examples
--------
>>> pprint(Chemical('benzene').economic_status)
["US public: {'Manufactured': 6165232.1, 'Imported': 463146.474, 'Exported': 271908.252}",
u'1,000,000 - 10,000,000 tonnes per annum',
u'Int... | thermo/chemical.py | def economic_status(self):
r'''Dictionary of economic status indicators for the chemical.
Examples
--------
>>> pprint(Chemical('benzene').economic_status)
["US public: {'Manufactured': 6165232.1, 'Imported': 463146.474, 'Exported': 271908.252}",
u'1,000,000 - 10,000,00... | def economic_status(self):
r'''Dictionary of economic status indicators for the chemical.
Examples
--------
>>> pprint(Chemical('benzene').economic_status)
["US public: {'Manufactured': 6165232.1, 'Imported': 463146.474, 'Exported': 271908.252}",
u'1,000,000 - 10,000,00... | [
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valid | Chemical.UNIFAC_groups | r'''Dictionary of UNIFAC subgroup: count groups for the original
UNIFAC subgroups, as determined by `DDBST's online service <http://www.ddbst.com/unifacga.html>`_.
Examples
--------
>>> pprint(Chemical('Cumene').UNIFAC_groups)
{1: 2, 9: 5, 13: 1} | thermo/chemical.py | def UNIFAC_groups(self):
r'''Dictionary of UNIFAC subgroup: count groups for the original
UNIFAC subgroups, as determined by `DDBST's online service <http://www.ddbst.com/unifacga.html>`_.
Examples
--------
>>> pprint(Chemical('Cumene').UNIFAC_groups)
{1: 2, 9: 5, 13: 1}... | def UNIFAC_groups(self):
r'''Dictionary of UNIFAC subgroup: count groups for the original
UNIFAC subgroups, as determined by `DDBST's online service <http://www.ddbst.com/unifacga.html>`_.
Examples
--------
>>> pprint(Chemical('Cumene').UNIFAC_groups)
{1: 2, 9: 5, 13: 1}... | [
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valid | Chemical.UNIFAC_Dortmund_groups | r'''Dictionary of Dortmund UNIFAC subgroup: count groups for the
Dortmund UNIFAC subgroups, as determined by `DDBST's online service <http://www.ddbst.com/unifacga.html>`_.
Examples
--------
>>> pprint(Chemical('Cumene').UNIFAC_Dortmund_groups)
{1: 2, 9: 5, 13: 1} | thermo/chemical.py | def UNIFAC_Dortmund_groups(self):
r'''Dictionary of Dortmund UNIFAC subgroup: count groups for the
Dortmund UNIFAC subgroups, as determined by `DDBST's online service <http://www.ddbst.com/unifacga.html>`_.
Examples
--------
>>> pprint(Chemical('Cumene').UNIFAC_Dortmund_groups)
... | def UNIFAC_Dortmund_groups(self):
r'''Dictionary of Dortmund UNIFAC subgroup: count groups for the
Dortmund UNIFAC subgroups, as determined by `DDBST's online service <http://www.ddbst.com/unifacga.html>`_.
Examples
--------
>>> pprint(Chemical('Cumene').UNIFAC_Dortmund_groups)
... | [
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valid | Chemical.PSRK_groups | r'''Dictionary of PSRK subgroup: count groups for the PSRK subgroups,
as determined by `DDBST's online service <http://www.ddbst.com/unifacga.html>`_.
Examples
--------
>>> pprint(Chemical('Cumene').PSRK_groups)
{1: 2, 9: 5, 13: 1} | thermo/chemical.py | def PSRK_groups(self):
r'''Dictionary of PSRK subgroup: count groups for the PSRK subgroups,
as determined by `DDBST's online service <http://www.ddbst.com/unifacga.html>`_.
Examples
--------
>>> pprint(Chemical('Cumene').PSRK_groups)
{1: 2, 9: 5, 13: 1}
'''
... | def PSRK_groups(self):
r'''Dictionary of PSRK subgroup: count groups for the PSRK subgroups,
as determined by `DDBST's online service <http://www.ddbst.com/unifacga.html>`_.
Examples
--------
>>> pprint(Chemical('Cumene').PSRK_groups)
{1: 2, 9: 5, 13: 1}
'''
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valid | Chemical.Hvap | r'''Enthalpy of vaporization of the chemical at its current temperature,
in units of [J/kg].
This property uses the object-oriented interface
:obj:`thermo.phase_change.EnthalpyVaporization`, but converts its
results from molar to mass units.
Examples
--------
>>... | thermo/chemical.py | def Hvap(self):
r'''Enthalpy of vaporization of the chemical at its current temperature,
in units of [J/kg].
This property uses the object-oriented interface
:obj:`thermo.phase_change.EnthalpyVaporization`, but converts its
results from molar to mass units.
Examples
... | def Hvap(self):
r'''Enthalpy of vaporization of the chemical at its current temperature,
in units of [J/kg].
This property uses the object-oriented interface
:obj:`thermo.phase_change.EnthalpyVaporization`, but converts its
results from molar to mass units.
Examples
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valid | Chemical.Cps | r'''Solid-phase heat capacity of the chemical at its current temperature,
in units of [J/kg/K]. For calculation of this property at other
temperatures, or specifying manually the method used to calculate it,
and more - see the object oriented interface
:obj:`thermo.heat_capacity.HeatCapa... | thermo/chemical.py | def Cps(self):
r'''Solid-phase heat capacity of the chemical at its current temperature,
in units of [J/kg/K]. For calculation of this property at other
temperatures, or specifying manually the method used to calculate it,
and more - see the object oriented interface
:obj:`thermo... | def Cps(self):
r'''Solid-phase heat capacity of the chemical at its current temperature,
in units of [J/kg/K]. For calculation of this property at other
temperatures, or specifying manually the method used to calculate it,
and more - see the object oriented interface
:obj:`thermo... | [
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valid | Chemical.Cpl | r'''Liquid-phase heat capacity of the chemical at its current temperature,
in units of [J/kg/K]. For calculation of this property at other
temperatures, or specifying manually the method used to calculate it,
and more - see the object oriented interface
:obj:`thermo.heat_capacity.HeatCap... | thermo/chemical.py | def Cpl(self):
r'''Liquid-phase heat capacity of the chemical at its current temperature,
in units of [J/kg/K]. For calculation of this property at other
temperatures, or specifying manually the method used to calculate it,
and more - see the object oriented interface
:obj:`therm... | def Cpl(self):
r'''Liquid-phase heat capacity of the chemical at its current temperature,
in units of [J/kg/K]. For calculation of this property at other
temperatures, or specifying manually the method used to calculate it,
and more - see the object oriented interface
:obj:`therm... | [
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valid | Chemical.Cpg | r'''Gas-phase heat capacity of the chemical at its current temperature,
in units of [J/kg/K]. For calculation of this property at other
temperatures, or specifying manually the method used to calculate it,
and more - see the object oriented interface
:obj:`thermo.heat_capacity.HeatCapaci... | thermo/chemical.py | def Cpg(self):
r'''Gas-phase heat capacity of the chemical at its current temperature,
in units of [J/kg/K]. For calculation of this property at other
temperatures, or specifying manually the method used to calculate it,
and more - see the object oriented interface
:obj:`thermo.h... | def Cpg(self):
r'''Gas-phase heat capacity of the chemical at its current temperature,
in units of [J/kg/K]. For calculation of this property at other
temperatures, or specifying manually the method used to calculate it,
and more - see the object oriented interface
:obj:`thermo.h... | [
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valid | Chemical.Cvgm | r'''Gas-phase ideal-gas contant-volume heat capacity of the chemical at
its current temperature, in units of [J/mol/K]. Subtracts R from
the ideal-gas heat capacity; does not include pressure-compensation
from an equation of state.
Examples
--------
>>> w = Chemical('wat... | thermo/chemical.py | def Cvgm(self):
r'''Gas-phase ideal-gas contant-volume heat capacity of the chemical at
its current temperature, in units of [J/mol/K]. Subtracts R from
the ideal-gas heat capacity; does not include pressure-compensation
from an equation of state.
Examples
--------
... | def Cvgm(self):
r'''Gas-phase ideal-gas contant-volume heat capacity of the chemical at
its current temperature, in units of [J/mol/K]. Subtracts R from
the ideal-gas heat capacity; does not include pressure-compensation
from an equation of state.
Examples
--------
... | [
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valid | Chemical.Cvg | r'''Gas-phase ideal-gas contant-volume heat capacity of the chemical at
its current temperature, in units of [J/kg/K]. Subtracts R from
the ideal-gas heat capacity; does not include pressure-compensation
from an equation of state.
Examples
--------
>>> w = Chemical('wate... | thermo/chemical.py | def Cvg(self):
r'''Gas-phase ideal-gas contant-volume heat capacity of the chemical at
its current temperature, in units of [J/kg/K]. Subtracts R from
the ideal-gas heat capacity; does not include pressure-compensation
from an equation of state.
Examples
--------
... | def Cvg(self):
r'''Gas-phase ideal-gas contant-volume heat capacity of the chemical at
its current temperature, in units of [J/kg/K]. Subtracts R from
the ideal-gas heat capacity; does not include pressure-compensation
from an equation of state.
Examples
--------
... | [
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valid | Chemical.isentropic_exponent | r'''Gas-phase ideal-gas isentropic exponent of the chemical at its
current temperature, [dimensionless]. Does not include
pressure-compensation from an equation of state.
Examples
--------
>>> Chemical('hydrogen').isentropic_exponent
1.405237786321222 | thermo/chemical.py | def isentropic_exponent(self):
r'''Gas-phase ideal-gas isentropic exponent of the chemical at its
current temperature, [dimensionless]. Does not include
pressure-compensation from an equation of state.
Examples
--------
>>> Chemical('hydrogen').isentropic_exponent
... | def isentropic_exponent(self):
r'''Gas-phase ideal-gas isentropic exponent of the chemical at its
current temperature, [dimensionless]. Does not include
pressure-compensation from an equation of state.
Examples
--------
>>> Chemical('hydrogen').isentropic_exponent
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valid | Chemical.rhos | r'''Solid-phase mass density of the chemical at its current temperature,
in units of [kg/m^3]. For calculation of this property at
other temperatures, or specifying manually the method used
to calculate it, and more - see the object oriented interface
:obj:`thermo.volume.VolumeSolid`; ea... | thermo/chemical.py | def rhos(self):
r'''Solid-phase mass density of the chemical at its current temperature,
in units of [kg/m^3]. For calculation of this property at
other temperatures, or specifying manually the method used
to calculate it, and more - see the object oriented interface
:obj:`thermo... | def rhos(self):
r'''Solid-phase mass density of the chemical at its current temperature,
in units of [kg/m^3]. For calculation of this property at
other temperatures, or specifying manually the method used
to calculate it, and more - see the object oriented interface
:obj:`thermo... | [
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valid | Chemical.rhol | r'''Liquid-phase mass density of the chemical at its current
temperature and pressure, in units of [kg/m^3]. For calculation of this
property at other temperatures and pressures, or specifying manually
the method used to calculate it, and more - see the object oriented
interface :obj:`th... | thermo/chemical.py | def rhol(self):
r'''Liquid-phase mass density of the chemical at its current
temperature and pressure, in units of [kg/m^3]. For calculation of this
property at other temperatures and pressures, or specifying manually
the method used to calculate it, and more - see the object oriented
... | def rhol(self):
r'''Liquid-phase mass density of the chemical at its current
temperature and pressure, in units of [kg/m^3]. For calculation of this
property at other temperatures and pressures, or specifying manually
the method used to calculate it, and more - see the object oriented
... | [
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valid | Chemical.rhog | r'''Gas-phase mass density of the chemical at its current temperature
and pressure, in units of [kg/m^3]. For calculation of this property at
other temperatures or pressures, or specifying manually the method used
to calculate it, and more - see the object oriented interface
:obj:`thermo... | thermo/chemical.py | def rhog(self):
r'''Gas-phase mass density of the chemical at its current temperature
and pressure, in units of [kg/m^3]. For calculation of this property at
other temperatures or pressures, or specifying manually the method used
to calculate it, and more - see the object oriented interf... | def rhog(self):
r'''Gas-phase mass density of the chemical at its current temperature
and pressure, in units of [kg/m^3]. For calculation of this property at
other temperatures or pressures, or specifying manually the method used
to calculate it, and more - see the object oriented interf... | [
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valid | Chemical.Zs | r'''Compressibility factor of the chemical in the solid phase at the
current temperature and pressure, [dimensionless].
Utilizes the object oriented interface and
:obj:`thermo.volume.VolumeSolid` to perform the actual calculation of
molar volume.
Examples
--------
... | thermo/chemical.py | def Zs(self):
r'''Compressibility factor of the chemical in the solid phase at the
current temperature and pressure, [dimensionless].
Utilizes the object oriented interface and
:obj:`thermo.volume.VolumeSolid` to perform the actual calculation of
molar volume.
Examples
... | def Zs(self):
r'''Compressibility factor of the chemical in the solid phase at the
current temperature and pressure, [dimensionless].
Utilizes the object oriented interface and
:obj:`thermo.volume.VolumeSolid` to perform the actual calculation of
molar volume.
Examples
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valid | Chemical.Zl | r'''Compressibility factor of the chemical in the liquid phase at the
current temperature and pressure, [dimensionless].
Utilizes the object oriented interface and
:obj:`thermo.volume.VolumeLiquid` to perform the actual calculation of
molar volume.
Examples
--------
... | thermo/chemical.py | def Zl(self):
r'''Compressibility factor of the chemical in the liquid phase at the
current temperature and pressure, [dimensionless].
Utilizes the object oriented interface and
:obj:`thermo.volume.VolumeLiquid` to perform the actual calculation of
molar volume.
Example... | def Zl(self):
r'''Compressibility factor of the chemical in the liquid phase at the
current temperature and pressure, [dimensionless].
Utilizes the object oriented interface and
:obj:`thermo.volume.VolumeLiquid` to perform the actual calculation of
molar volume.
Example... | [
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valid | Chemical.Zg | r'''Compressibility factor of the chemical in the gas phase at the
current temperature and pressure, [dimensionless].
Utilizes the object oriented interface and
:obj:`thermo.volume.VolumeGas` to perform the actual calculation of
molar volume.
Examples
--------
>... | thermo/chemical.py | def Zg(self):
r'''Compressibility factor of the chemical in the gas phase at the
current temperature and pressure, [dimensionless].
Utilizes the object oriented interface and
:obj:`thermo.volume.VolumeGas` to perform the actual calculation of
molar volume.
Examples
... | def Zg(self):
r'''Compressibility factor of the chemical in the gas phase at the
current temperature and pressure, [dimensionless].
Utilizes the object oriented interface and
:obj:`thermo.volume.VolumeGas` to perform the actual calculation of
molar volume.
Examples
... | [
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valid | Chemical.SGg | r'''Specific gravity of the gas phase of the chemical, [dimensionless].
The reference condition is air at 15.6 °C (60 °F) and 1 atm
(rho=1.223 kg/m^3). The definition for gases uses the compressibility
factor of the reference gas and the chemical both at the reference
conditions, not th... | thermo/chemical.py | def SGg(self):
r'''Specific gravity of the gas phase of the chemical, [dimensionless].
The reference condition is air at 15.6 °C (60 °F) and 1 atm
(rho=1.223 kg/m^3). The definition for gases uses the compressibility
factor of the reference gas and the chemical both at the reference
... | def SGg(self):
r'''Specific gravity of the gas phase of the chemical, [dimensionless].
The reference condition is air at 15.6 °C (60 °F) and 1 atm
(rho=1.223 kg/m^3). The definition for gases uses the compressibility
factor of the reference gas and the chemical both at the reference
... | [
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valid | Chemical.API | r'''API gravity of the liquid phase of the chemical, [degrees].
The reference condition is water at 15.6 °C (60 °F) and 1 atm
(rho=999.016 kg/m^3, standardized).
Examples
--------
>>> Chemical('water').API
9.999752435378895 | thermo/chemical.py | def API(self):
r'''API gravity of the liquid phase of the chemical, [degrees].
The reference condition is water at 15.6 °C (60 °F) and 1 atm
(rho=999.016 kg/m^3, standardized).
Examples
--------
>>> Chemical('water').API
9.999752435378895
'''... | def API(self):
r'''API gravity of the liquid phase of the chemical, [degrees].
The reference condition is water at 15.6 °C (60 °F) and 1 atm
(rho=999.016 kg/m^3, standardized).
Examples
--------
>>> Chemical('water').API
9.999752435378895
'''... | [
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valid | Chemical.Bvirial | r'''Second virial coefficient of the gas phase of the chemical at its
current temperature and pressure, in units of [mol/m^3].
This property uses the object-oriented interface
:obj:`thermo.volume.VolumeGas`, converting its result with
:obj:`thermo.utils.B_from_Z`.
Examples
... | thermo/chemical.py | def Bvirial(self):
r'''Second virial coefficient of the gas phase of the chemical at its
current temperature and pressure, in units of [mol/m^3].
This property uses the object-oriented interface
:obj:`thermo.volume.VolumeGas`, converting its result with
:obj:`thermo.utils.B_from... | def Bvirial(self):
r'''Second virial coefficient of the gas phase of the chemical at its
current temperature and pressure, in units of [mol/m^3].
This property uses the object-oriented interface
:obj:`thermo.volume.VolumeGas`, converting its result with
:obj:`thermo.utils.B_from... | [
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valid | Chemical.isobaric_expansion_l | r'''Isobaric (constant-pressure) expansion of the liquid phase of the
chemical at its current temperature and pressure, in units of [1/K].
.. math::
\beta = \frac{1}{V}\left(\frac{\partial V}{\partial T} \right)_P
Utilizes the temperature-derivative method of
:obj:`thermo.v... | thermo/chemical.py | def isobaric_expansion_l(self):
r'''Isobaric (constant-pressure) expansion of the liquid phase of the
chemical at its current temperature and pressure, in units of [1/K].
.. math::
\beta = \frac{1}{V}\left(\frac{\partial V}{\partial T} \right)_P
Utilizes the temperature-der... | def isobaric_expansion_l(self):
r'''Isobaric (constant-pressure) expansion of the liquid phase of the
chemical at its current temperature and pressure, in units of [1/K].
.. math::
\beta = \frac{1}{V}\left(\frac{\partial V}{\partial T} \right)_P
Utilizes the temperature-der... | [
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valid | Chemical.isobaric_expansion_g | r'''Isobaric (constant-pressure) expansion of the gas phase of the
chemical at its current temperature and pressure, in units of [1/K].
.. math::
\beta = \frac{1}{V}\left(\frac{\partial V}{\partial T} \right)_P
Utilizes the temperature-derivative method of
:obj:`thermo.Volu... | thermo/chemical.py | def isobaric_expansion_g(self):
r'''Isobaric (constant-pressure) expansion of the gas phase of the
chemical at its current temperature and pressure, in units of [1/K].
.. math::
\beta = \frac{1}{V}\left(\frac{\partial V}{\partial T} \right)_P
Utilizes the temperature-deriva... | def isobaric_expansion_g(self):
r'''Isobaric (constant-pressure) expansion of the gas phase of the
chemical at its current temperature and pressure, in units of [1/K].
.. math::
\beta = \frac{1}{V}\left(\frac{\partial V}{\partial T} \right)_P
Utilizes the temperature-deriva... | [
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... | 3857ed023a3e64fd3039a32d53576c24990ef1c3 |
valid | Chemical.JTl | r'''Joule Thomson coefficient of the chemical in the liquid phase at
its current temperature and pressure, in units of [K/Pa].
.. math::
\mu_{JT} = \left(\frac{\partial T}{\partial P}\right)_H = \frac{1}{C_p}
\left[T \left(\frac{\partial V}{\partial T}\right)_P - V\right]
... | thermo/chemical.py | def JTl(self):
r'''Joule Thomson coefficient of the chemical in the liquid phase at
its current temperature and pressure, in units of [K/Pa].
.. math::
\mu_{JT} = \left(\frac{\partial T}{\partial P}\right)_H = \frac{1}{C_p}
\left[T \left(\frac{\partial V}{\partial T}\rig... | def JTl(self):
r'''Joule Thomson coefficient of the chemical in the liquid phase at
its current temperature and pressure, in units of [K/Pa].
.. math::
\mu_{JT} = \left(\frac{\partial T}{\partial P}\right)_H = \frac{1}{C_p}
\left[T \left(\frac{\partial V}{\partial T}\rig... | [
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] | CalebBell/thermo | python | https://github.com/CalebBell/thermo/blob/3857ed023a3e64fd3039a32d53576c24990ef1c3/thermo/chemical.py#L2226-L2248 | [
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"... | 3857ed023a3e64fd3039a32d53576c24990ef1c3 |
valid | Chemical.JTg | r'''Joule Thomson coefficient of the chemical in the gas phase at
its current temperature and pressure, in units of [K/Pa].
.. math::
\mu_{JT} = \left(\frac{\partial T}{\partial P}\right)_H = \frac{1}{C_p}
\left[T \left(\frac{\partial V}{\partial T}\right)_P - V\right]
... | thermo/chemical.py | def JTg(self):
r'''Joule Thomson coefficient of the chemical in the gas phase at
its current temperature and pressure, in units of [K/Pa].
.. math::
\mu_{JT} = \left(\frac{\partial T}{\partial P}\right)_H = \frac{1}{C_p}
\left[T \left(\frac{\partial V}{\partial T}\right)... | def JTg(self):
r'''Joule Thomson coefficient of the chemical in the gas phase at
its current temperature and pressure, in units of [K/Pa].
.. math::
\mu_{JT} = \left(\frac{\partial T}{\partial P}\right)_H = \frac{1}{C_p}
\left[T \left(\frac{\partial V}{\partial T}\right)... | [
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"... | 3857ed023a3e64fd3039a32d53576c24990ef1c3 |
valid | Chemical.nul | r'''Kinematic viscosity of the liquid phase of the chemical at its
current temperature and pressure, in units of [m^2/s].
.. math::
\nu = \frac{\mu}{\rho}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.volume.VolumeLiquid`,
:... | thermo/chemical.py | def nul(self):
r'''Kinematic viscosity of the liquid phase of the chemical at its
current temperature and pressure, in units of [m^2/s].
.. math::
\nu = \frac{\mu}{\rho}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.volume.V... | def nul(self):
r'''Kinematic viscosity of the liquid phase of the chemical at its
current temperature and pressure, in units of [m^2/s].
.. math::
\nu = \frac{\mu}{\rho}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.volume.V... | [
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valid | Chemical.nug | r'''Kinematic viscosity of the gas phase of the chemical at its
current temperature and pressure, in units of [m^2/s].
.. math::
\nu = \frac{\mu}{\rho}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.volume.VolumeGas`,
:obj:`t... | thermo/chemical.py | def nug(self):
r'''Kinematic viscosity of the gas phase of the chemical at its
current temperature and pressure, in units of [m^2/s].
.. math::
\nu = \frac{\mu}{\rho}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.volume.Volu... | def nug(self):
r'''Kinematic viscosity of the gas phase of the chemical at its
current temperature and pressure, in units of [m^2/s].
.. math::
\nu = \frac{\mu}{\rho}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.volume.Volu... | [
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... | 3857ed023a3e64fd3039a32d53576c24990ef1c3 |
valid | Chemical.alphal | r'''Thermal diffusivity of the liquid phase of the chemical at its
current temperature and pressure, in units of [m^2/s].
.. math::
\alpha = \frac{k}{\rho Cp}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.volume.VolumeLiquid`,
... | thermo/chemical.py | def alphal(self):
r'''Thermal diffusivity of the liquid phase of the chemical at its
current temperature and pressure, in units of [m^2/s].
.. math::
\alpha = \frac{k}{\rho Cp}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.v... | def alphal(self):
r'''Thermal diffusivity of the liquid phase of the chemical at its
current temperature and pressure, in units of [m^2/s].
.. math::
\alpha = \frac{k}{\rho Cp}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.v... | [
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valid | Chemical.alphag | r'''Thermal diffusivity of the gas phase of the chemical at its
current temperature and pressure, in units of [m^2/s].
.. math::
\alpha = \frac{k}{\rho Cp}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.volume.VolumeGas`,
:ob... | thermo/chemical.py | def alphag(self):
r'''Thermal diffusivity of the gas phase of the chemical at its
current temperature and pressure, in units of [m^2/s].
.. math::
\alpha = \frac{k}{\rho Cp}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.volu... | def alphag(self):
r'''Thermal diffusivity of the gas phase of the chemical at its
current temperature and pressure, in units of [m^2/s].
.. math::
\alpha = \frac{k}{\rho Cp}
Utilizes the temperature and pressure dependent object oriented
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valid | Chemical.Prl | r'''Prandtl number of the liquid phase of the chemical at its
current temperature and pressure, [dimensionless].
.. math::
Pr = \frac{C_p \mu}{k}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.viscosity.ViscosityLiquid`,
:obj... | thermo/chemical.py | def Prl(self):
r'''Prandtl number of the liquid phase of the chemical at its
current temperature and pressure, [dimensionless].
.. math::
Pr = \frac{C_p \mu}{k}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.viscosity.Viscosi... | def Prl(self):
r'''Prandtl number of the liquid phase of the chemical at its
current temperature and pressure, [dimensionless].
.. math::
Pr = \frac{C_p \mu}{k}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.viscosity.Viscosi... | [
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valid | Chemical.Prg | r'''Prandtl number of the gas phase of the chemical at its
current temperature and pressure, [dimensionless].
.. math::
Pr = \frac{C_p \mu}{k}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.viscosity.ViscosityGas`,
:obj:`ther... | thermo/chemical.py | def Prg(self):
r'''Prandtl number of the gas phase of the chemical at its
current temperature and pressure, [dimensionless].
.. math::
Pr = \frac{C_p \mu}{k}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.viscosity.ViscosityG... | def Prg(self):
r'''Prandtl number of the gas phase of the chemical at its
current temperature and pressure, [dimensionless].
.. math::
Pr = \frac{C_p \mu}{k}
Utilizes the temperature and pressure dependent object oriented
interfaces :obj:`thermo.viscosity.ViscosityG... | [
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valid | Chemical.solubility_parameter | r'''Solubility parameter of the chemical at its
current temperature and pressure, in units of [Pa^0.5].
.. math::
\delta = \sqrt{\frac{\Delta H_{vap} - RT}{V_m}}
Calculated based on enthalpy of vaporization and molar volume.
Normally calculated at STP. For uses of this prop... | thermo/chemical.py | def solubility_parameter(self):
r'''Solubility parameter of the chemical at its
current temperature and pressure, in units of [Pa^0.5].
.. math::
\delta = \sqrt{\frac{\Delta H_{vap} - RT}{V_m}}
Calculated based on enthalpy of vaporization and molar volume.
Normally ... | def solubility_parameter(self):
r'''Solubility parameter of the chemical at its
current temperature and pressure, in units of [Pa^0.5].
.. math::
\delta = \sqrt{\frac{\Delta H_{vap} - RT}{V_m}}
Calculated based on enthalpy of vaporization and molar volume.
Normally ... | [
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valid | Chemical.Parachor | r'''Parachor of the chemical at its
current temperature and pressure, in units of [N^0.25*m^2.75/mol].
.. math::
P = \frac{\sigma^{0.25} MW}{\rho_L - \rho_V}
Calculated based on surface tension, density of the liquid and gas
phase, and molecular weight. For uses of this pro... | thermo/chemical.py | def Parachor(self):
r'''Parachor of the chemical at its
current temperature and pressure, in units of [N^0.25*m^2.75/mol].
.. math::
P = \frac{\sigma^{0.25} MW}{\rho_L - \rho_V}
Calculated based on surface tension, density of the liquid and gas
phase, and molecular ... | def Parachor(self):
r'''Parachor of the chemical at its
current temperature and pressure, in units of [N^0.25*m^2.75/mol].
.. math::
P = \frac{\sigma^{0.25} MW}{\rho_L - \rho_V}
Calculated based on surface tension, density of the liquid and gas
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valid | Chemical.Cp | r'''Mass heat capacity of the chemical at its current phase and
temperature, in units of [J/kg/K].
Utilizes the object oriented interfaces
:obj:`thermo.heat_capacity.HeatCapacitySolid`,
:obj:`thermo.heat_capacity.HeatCapacityLiquid`,
and :obj:`thermo.heat_capacity.HeatCapacityGa... | thermo/chemical.py | def Cp(self):
r'''Mass heat capacity of the chemical at its current phase and
temperature, in units of [J/kg/K].
Utilizes the object oriented interfaces
:obj:`thermo.heat_capacity.HeatCapacitySolid`,
:obj:`thermo.heat_capacity.HeatCapacityLiquid`,
and :obj:`thermo.heat_c... | def Cp(self):
r'''Mass heat capacity of the chemical at its current phase and
temperature, in units of [J/kg/K].
Utilizes the object oriented interfaces
:obj:`thermo.heat_capacity.HeatCapacitySolid`,
:obj:`thermo.heat_capacity.HeatCapacityLiquid`,
and :obj:`thermo.heat_c... | [
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valid | Chemical.Cpm | r'''Molar heat capacity of the chemical at its current phase and
temperature, in units of [J/mol/K].
Utilizes the object oriented interfaces
:obj:`thermo.heat_capacity.HeatCapacitySolid`,
:obj:`thermo.heat_capacity.HeatCapacityLiquid`,
and :obj:`thermo.heat_capacity.HeatCapacity... | thermo/chemical.py | def Cpm(self):
r'''Molar heat capacity of the chemical at its current phase and
temperature, in units of [J/mol/K].
Utilizes the object oriented interfaces
:obj:`thermo.heat_capacity.HeatCapacitySolid`,
:obj:`thermo.heat_capacity.HeatCapacityLiquid`,
and :obj:`thermo.hea... | def Cpm(self):
r'''Molar heat capacity of the chemical at its current phase and
temperature, in units of [J/mol/K].
Utilizes the object oriented interfaces
:obj:`thermo.heat_capacity.HeatCapacitySolid`,
:obj:`thermo.heat_capacity.HeatCapacityLiquid`,
and :obj:`thermo.hea... | [
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valid | Chemical.Vm | r'''Molar volume of the chemical at its current phase and
temperature and pressure, in units of [m^3/mol].
Utilizes the object oriented interfaces
:obj:`thermo.volume.VolumeSolid`,
:obj:`thermo.volume.VolumeLiquid`,
and :obj:`thermo.volume.VolumeGas` to perform the
actua... | thermo/chemical.py | def Vm(self):
r'''Molar volume of the chemical at its current phase and
temperature and pressure, in units of [m^3/mol].
Utilizes the object oriented interfaces
:obj:`thermo.volume.VolumeSolid`,
:obj:`thermo.volume.VolumeLiquid`,
and :obj:`thermo.volume.VolumeGas` to per... | def Vm(self):
r'''Molar volume of the chemical at its current phase and
temperature and pressure, in units of [m^3/mol].
Utilizes the object oriented interfaces
:obj:`thermo.volume.VolumeSolid`,
:obj:`thermo.volume.VolumeLiquid`,
and :obj:`thermo.volume.VolumeGas` to per... | [
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] | CalebBell/thermo | python | https://github.com/CalebBell/thermo/blob/3857ed023a3e64fd3039a32d53576c24990ef1c3/thermo/chemical.py#L2505-L2520 | [
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valid | Chemical.rho | r'''Mass density of the chemical at its current phase and
temperature and pressure, in units of [kg/m^3].
Utilizes the object oriented interfaces
:obj:`thermo.volume.VolumeSolid`,
:obj:`thermo.volume.VolumeLiquid`,
and :obj:`thermo.volume.VolumeGas` to perform the
actual... | thermo/chemical.py | def rho(self):
r'''Mass density of the chemical at its current phase and
temperature and pressure, in units of [kg/m^3].
Utilizes the object oriented interfaces
:obj:`thermo.volume.VolumeSolid`,
:obj:`thermo.volume.VolumeLiquid`,
and :obj:`thermo.volume.VolumeGas` to per... | def rho(self):
r'''Mass density of the chemical at its current phase and
temperature and pressure, in units of [kg/m^3].
Utilizes the object oriented interfaces
:obj:`thermo.volume.VolumeSolid`,
:obj:`thermo.volume.VolumeLiquid`,
and :obj:`thermo.volume.VolumeGas` to per... | [
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valid | Chemical.Z | r'''Compressibility factor of the chemical at its current phase and
temperature and pressure, [dimensionless].
Examples
--------
>>> Chemical('MTBE', T=900, P=1E-2).Z
0.9999999999079768 | thermo/chemical.py | def Z(self):
r'''Compressibility factor of the chemical at its current phase and
temperature and pressure, [dimensionless].
Examples
--------
>>> Chemical('MTBE', T=900, P=1E-2).Z
0.9999999999079768
'''
Vm = self.Vm
if Vm:
return Z(sel... | def Z(self):
r'''Compressibility factor of the chemical at its current phase and
temperature and pressure, [dimensionless].
Examples
--------
>>> Chemical('MTBE', T=900, P=1E-2).Z
0.9999999999079768
'''
Vm = self.Vm
if Vm:
return Z(sel... | [
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valid | Chemical.SG | r'''Specific gravity of the chemical, [dimensionless].
For gas-phase conditions, this is calculated at 15.6 °C (60 °F) and 1
atm for the chemical and the reference fluid, air.
For liquid and solid phase conditions, this is calculated based on a
reference fluid of water at 4°... | thermo/chemical.py | def SG(self):
r'''Specific gravity of the chemical, [dimensionless].
For gas-phase conditions, this is calculated at 15.6 °C (60 °F) and 1
atm for the chemical and the reference fluid, air.
For liquid and solid phase conditions, this is calculated based on a
referenc... | def SG(self):
r'''Specific gravity of the chemical, [dimensionless].
For gas-phase conditions, this is calculated at 15.6 °C (60 °F) and 1
atm for the chemical and the reference fluid, air.
For liquid and solid phase conditions, this is calculated based on a
referenc... | [
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valid | Chemical.isobaric_expansion | r'''Isobaric (constant-pressure) expansion of the chemical at its
current phase and temperature, in units of [1/K].
.. math::
\beta = \frac{1}{V}\left(\frac{\partial V}{\partial T} \right)_P
Examples
--------
Radical change in value just above and below the critica... | thermo/chemical.py | def isobaric_expansion(self):
r'''Isobaric (constant-pressure) expansion of the chemical at its
current phase and temperature, in units of [1/K].
.. math::
\beta = \frac{1}{V}\left(\frac{\partial V}{\partial T} \right)_P
Examples
--------
Radical change in ... | def isobaric_expansion(self):
r'''Isobaric (constant-pressure) expansion of the chemical at its
current phase and temperature, in units of [1/K].
.. math::
\beta = \frac{1}{V}\left(\frac{\partial V}{\partial T} \right)_P
Examples
--------
Radical change in ... | [
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valid | Chemical.JT | r'''Joule Thomson coefficient of the chemical at its
current phase and temperature, in units of [K/Pa].
.. math::
\mu_{JT} = \left(\frac{\partial T}{\partial P}\right)_H = \frac{1}{C_p}
\left[T \left(\frac{\partial V}{\partial T}\right)_P - V\right]
= \frac{V}{C_p}\l... | thermo/chemical.py | def JT(self):
r'''Joule Thomson coefficient of the chemical at its
current phase and temperature, in units of [K/Pa].
.. math::
\mu_{JT} = \left(\frac{\partial T}{\partial P}\right)_H = \frac{1}{C_p}
\left[T \left(\frac{\partial V}{\partial T}\right)_P - V\right]
... | def JT(self):
r'''Joule Thomson coefficient of the chemical at its
current phase and temperature, in units of [K/Pa].
.. math::
\mu_{JT} = \left(\frac{\partial T}{\partial P}\right)_H = \frac{1}{C_p}
\left[T \left(\frac{\partial V}{\partial T}\right)_P - V\right]
... | [
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valid | Chemical.mu | r'''Viscosity of the chemical at its current phase, temperature, and
pressure in units of [Pa*s].
Utilizes the object oriented interfaces
:obj:`thermo.viscosity.ViscosityLiquid` and
:obj:`thermo.viscosity.ViscosityGas` to perform the
actual calculation of each property.
... | thermo/chemical.py | def mu(self):
r'''Viscosity of the chemical at its current phase, temperature, and
pressure in units of [Pa*s].
Utilizes the object oriented interfaces
:obj:`thermo.viscosity.ViscosityLiquid` and
:obj:`thermo.viscosity.ViscosityGas` to perform the
actual calculation of e... | def mu(self):
r'''Viscosity of the chemical at its current phase, temperature, and
pressure in units of [Pa*s].
Utilizes the object oriented interfaces
:obj:`thermo.viscosity.ViscosityLiquid` and
:obj:`thermo.viscosity.ViscosityGas` to perform the
actual calculation of e... | [
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] | CalebBell/thermo | python | https://github.com/CalebBell/thermo/blob/3857ed023a3e64fd3039a32d53576c24990ef1c3/thermo/chemical.py#L2641-L2657 | [
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valid | Chemical.k | r'''Thermal conductivity of the chemical at its current phase,
temperature, and pressure in units of [W/m/K].
Utilizes the object oriented interfaces
:obj:`thermo.thermal_conductivity.ThermalConductivityLiquid` and
:obj:`thermo.thermal_conductivity.ThermalConductivityGas` to perform
... | thermo/chemical.py | def k(self):
r'''Thermal conductivity of the chemical at its current phase,
temperature, and pressure in units of [W/m/K].
Utilizes the object oriented interfaces
:obj:`thermo.thermal_conductivity.ThermalConductivityLiquid` and
:obj:`thermo.thermal_conductivity.ThermalConductivi... | def k(self):
r'''Thermal conductivity of the chemical at its current phase,
temperature, and pressure in units of [W/m/K].
Utilizes the object oriented interfaces
:obj:`thermo.thermal_conductivity.ThermalConductivityLiquid` and
:obj:`thermo.thermal_conductivity.ThermalConductivi... | [
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valid | Chemical.nu | r'''Kinematic viscosity of the the chemical at its current temperature,
pressure, and phase in units of [m^2/s].
.. math::
\nu = \frac{\mu}{\rho}
Examples
--------
>>> Chemical('argon').nu
1.3846930410865003e-05 | thermo/chemical.py | def nu(self):
r'''Kinematic viscosity of the the chemical at its current temperature,
pressure, and phase in units of [m^2/s].
.. math::
\nu = \frac{\mu}{\rho}
Examples
--------
>>> Chemical('argon').nu
1.3846930410865003e-05
'''
retu... | def nu(self):
r'''Kinematic viscosity of the the chemical at its current temperature,
pressure, and phase in units of [m^2/s].
.. math::
\nu = \frac{\mu}{\rho}
Examples
--------
>>> Chemical('argon').nu
1.3846930410865003e-05
'''
retu... | [
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valid | Chemical.alpha | r'''Thermal diffusivity of the chemical at its current temperature,
pressure, and phase in units of [m^2/s].
.. math::
\alpha = \frac{k}{\rho Cp}
Examples
--------
>>> Chemical('furfural').alpha
8.696537158635412e-08 | thermo/chemical.py | def alpha(self):
r'''Thermal diffusivity of the chemical at its current temperature,
pressure, and phase in units of [m^2/s].
.. math::
\alpha = \frac{k}{\rho Cp}
Examples
--------
>>> Chemical('furfural').alpha
8.696537158635412e-08
'''
... | def alpha(self):
r'''Thermal diffusivity of the chemical at its current temperature,
pressure, and phase in units of [m^2/s].
.. math::
\alpha = \frac{k}{\rho Cp}
Examples
--------
>>> Chemical('furfural').alpha
8.696537158635412e-08
'''
... | [
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valid | Chemical.Pr | r'''Prandtl number of the chemical at its current temperature,
pressure, and phase; [dimensionless].
.. math::
Pr = \frac{C_p \mu}{k}
Examples
--------
>>> Chemical('acetone').Pr
4.183039103542709 | thermo/chemical.py | def Pr(self):
r'''Prandtl number of the chemical at its current temperature,
pressure, and phase; [dimensionless].
.. math::
Pr = \frac{C_p \mu}{k}
Examples
--------
>>> Chemical('acetone').Pr
4.183039103542709
'''
return phase_select... | def Pr(self):
r'''Prandtl number of the chemical at its current temperature,
pressure, and phase; [dimensionless].
.. math::
Pr = \frac{C_p \mu}{k}
Examples
--------
>>> Chemical('acetone').Pr
4.183039103542709
'''
return phase_select... | [
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valid | Chemical.Poynting | r'''Poynting correction factor [dimensionless] for use in phase
equilibria methods based on activity coefficients or other reference
states. Performs the shortcut calculation assuming molar volume is
independent of pressure.
.. math::
\text{Poy} = \exp\left[\frac{V_l (P-... | thermo/chemical.py | def Poynting(self):
r'''Poynting correction factor [dimensionless] for use in phase
equilibria methods based on activity coefficients or other reference
states. Performs the shortcut calculation assuming molar volume is
independent of pressure.
.. math::
\text{Poy... | def Poynting(self):
r'''Poynting correction factor [dimensionless] for use in phase
equilibria methods based on activity coefficients or other reference
states. Performs the shortcut calculation assuming molar volume is
independent of pressure.
.. math::
\text{Poy... | [
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valid | ITS90_68_difference | r'''Calculates the difference between ITS-90 and ITS-68 scales using a
series of models listed in [1]_, [2]_, and [3]_.
The temperature difference is given by the following equations:
From 13.8 K to 73.15 K:
.. math::
T_{90} - T_{68} = a_0 + \sum_{i=1}^{12} a_i[(T_{90}/K-40)/40]^i
From 8... | thermo/temperature.py | def ITS90_68_difference(T):
r'''Calculates the difference between ITS-90 and ITS-68 scales using a
series of models listed in [1]_, [2]_, and [3]_.
The temperature difference is given by the following equations:
From 13.8 K to 73.15 K:
.. math::
T_{90} - T_{68} = a_0 + \sum_{i=1}^{12} a_i... | def ITS90_68_difference(T):
r'''Calculates the difference between ITS-90 and ITS-68 scales using a
series of models listed in [1]_, [2]_, and [3]_.
The temperature difference is given by the following equations:
From 13.8 K to 73.15 K:
.. math::
T_{90} - T_{68} = a_0 + \sum_{i=1}^{12} a_i... | [
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valid | T_converter | r'''Converts the a temperature reading made in any of the scales
'ITS-90', 'ITS-68','ITS-48', 'ITS-76', or 'ITS-27' to any of the other
scales. Not all temperature ranges can be converted to other ranges; for
instance, 'ITS-76' is purely for low temperatures, and 5 K on it has no
conversion to 'ITS-90' ... | thermo/temperature.py | def T_converter(T, current, desired):
r'''Converts the a temperature reading made in any of the scales
'ITS-90', 'ITS-68','ITS-48', 'ITS-76', or 'ITS-27' to any of the other
scales. Not all temperature ranges can be converted to other ranges; for
instance, 'ITS-76' is purely for low temperatures, and 5 ... | def T_converter(T, current, desired):
r'''Converts the a temperature reading made in any of the scales
'ITS-90', 'ITS-68','ITS-48', 'ITS-76', or 'ITS-27' to any of the other
scales. Not all temperature ranges can be converted to other ranges; for
instance, 'ITS-76' is purely for low temperatures, and 5 ... | [
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"... | CalebBell/thermo | python | https://github.com/CalebBell/thermo/blob/3857ed023a3e64fd3039a32d53576c24990ef1c3/thermo/temperature.py#L284-L383 | [
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valid | GWP | r'''This function handles the retrieval of a chemical's Global Warming
Potential, relative to CO2. Lookup is based on CASRNs. Will automatically
select a data source to use if no Method is provided; returns None if the
data is not available.
Returns the GWP for the 100yr outlook by default.
Parame... | thermo/environment.py | def GWP(CASRN, AvailableMethods=False, Method=None):
r'''This function handles the retrieval of a chemical's Global Warming
Potential, relative to CO2. Lookup is based on CASRNs. Will automatically
select a data source to use if no Method is provided; returns None if the
data is not available.
Retu... | def GWP(CASRN, AvailableMethods=False, Method=None):
r'''This function handles the retrieval of a chemical's Global Warming
Potential, relative to CO2. Lookup is based on CASRNs. Will automatically
select a data source to use if no Method is provided; returns None if the
data is not available.
Retu... | [
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valid | ODP | r'''This function handles the retrieval of a chemical's Ozone Depletion
Potential, relative to CFC-11 (trichlorofluoromethane). Lookup is based on
CASRNs. Will automatically select a data source to use if no Method is
provided; returns None if the data is not available.
Returns the ODP of a chemical ac... | thermo/environment.py | def ODP(CASRN, AvailableMethods=False, Method=None):
r'''This function handles the retrieval of a chemical's Ozone Depletion
Potential, relative to CFC-11 (trichlorofluoromethane). Lookup is based on
CASRNs. Will automatically select a data source to use if no Method is
provided; returns None if the dat... | def ODP(CASRN, AvailableMethods=False, Method=None):
r'''This function handles the retrieval of a chemical's Ozone Depletion
Potential, relative to CFC-11 (trichlorofluoromethane). Lookup is based on
CASRNs. Will automatically select a data source to use if no Method is
provided; returns None if the dat... | [
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valid | logP | r'''This function handles the retrieval of a chemical's octanol-water
partition coefficient. Lookup is based on CASRNs. Will automatically
select a data source to use if no Method is provided; returns None if the
data is not available.
Parameters
----------
CASRN : string
CASRN [-]
... | thermo/environment.py | def logP(CASRN, AvailableMethods=False, Method=None):
r'''This function handles the retrieval of a chemical's octanol-water
partition coefficient. Lookup is based on CASRNs. Will automatically
select a data source to use if no Method is provided; returns None if the
data is not available.
Parameter... | def logP(CASRN, AvailableMethods=False, Method=None):
r'''This function handles the retrieval of a chemical's octanol-water
partition coefficient. Lookup is based on CASRNs. Will automatically
select a data source to use if no Method is provided; returns None if the
data is not available.
Parameter... | [
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... | 3857ed023a3e64fd3039a32d53576c24990ef1c3 |
valid | Antoine | r'''Calculates vapor pressure of a chemical using the Antoine equation.
Parameters `A`, `B`, and `C` are chemical-dependent. Parameters can be
found in numerous sources; however units of the coefficients used vary.
Originally proposed by Antoine (1888) [2]_.
.. math::
\log_{\text{base}} P^{\te... | thermo/vapor_pressure.py | def Antoine(T, A, B, C, base=10.0):
r'''Calculates vapor pressure of a chemical using the Antoine equation.
Parameters `A`, `B`, and `C` are chemical-dependent. Parameters can be
found in numerous sources; however units of the coefficients used vary.
Originally proposed by Antoine (1888) [2]_.
.. ... | def Antoine(T, A, B, C, base=10.0):
r'''Calculates vapor pressure of a chemical using the Antoine equation.
Parameters `A`, `B`, and `C` are chemical-dependent. Parameters can be
found in numerous sources; however units of the coefficients used vary.
Originally proposed by Antoine (1888) [2]_.
.. ... | [
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"... | CalebBell/thermo | python | https://github.com/CalebBell/thermo/blob/3857ed023a3e64fd3039a32d53576c24990ef1c3/thermo/vapor_pressure.py#L67-L137 | [
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valid | TRC_Antoine_extended | r'''Calculates vapor pressure of a chemical using the TRC Extended Antoine
equation. Parameters are chemical dependent, and said to be from the
Thermodynamics Research Center (TRC) at Texas A&M. Coefficients for various
chemicals can be found in [1]_.
.. math::
\log_{10} P^{sat} = A - \frac{B}... | thermo/vapor_pressure.py | def TRC_Antoine_extended(T, Tc, to, A, B, C, n, E, F):
r'''Calculates vapor pressure of a chemical using the TRC Extended Antoine
equation. Parameters are chemical dependent, and said to be from the
Thermodynamics Research Center (TRC) at Texas A&M. Coefficients for various
chemicals can be found in [1... | def TRC_Antoine_extended(T, Tc, to, A, B, C, n, E, F):
r'''Calculates vapor pressure of a chemical using the TRC Extended Antoine
equation. Parameters are chemical dependent, and said to be from the
Thermodynamics Research Center (TRC) at Texas A&M. Coefficients for various
chemicals can be found in [1... | [
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valid | Wagner_original | r'''Calculates vapor pressure using the Wagner equation (3, 6 form).
Requires critical temperature and pressure as well as four coefficients
specific to each chemical.
.. math::
\ln P^{sat}= \ln P_c + \frac{a\tau + b \tau^{1.5} + c\tau^3 + d\tau^6}
{T_r}
\tau = 1 - \frac{T... | thermo/vapor_pressure.py | def Wagner_original(T, Tc, Pc, a, b, c, d):
r'''Calculates vapor pressure using the Wagner equation (3, 6 form).
Requires critical temperature and pressure as well as four coefficients
specific to each chemical.
.. math::
\ln P^{sat}= \ln P_c + \frac{a\tau + b \tau^{1.5} + c\tau^3 + d\tau^6}
... | def Wagner_original(T, Tc, Pc, a, b, c, d):
r'''Calculates vapor pressure using the Wagner equation (3, 6 form).
Requires critical temperature and pressure as well as four coefficients
specific to each chemical.
.. math::
\ln P^{sat}= \ln P_c + \frac{a\tau + b \tau^{1.5} + c\tau^3 + d\tau^6}
... | [
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"... | 3857ed023a3e64fd3039a32d53576c24990ef1c3 |
valid | boiling_critical_relation | r'''Calculates vapor pressure of a fluid at arbitrary temperatures using a
CSP relationship as in [1]_; requires a chemical's critical temperature
and pressure as well as boiling point.
The vapor pressure is given by:
.. math::
\ln P^{sat}_r = h\left( 1 - \frac{1}{T_r}\right)
h = T_{b... | thermo/vapor_pressure.py | def boiling_critical_relation(T, Tb, Tc, Pc):
r'''Calculates vapor pressure of a fluid at arbitrary temperatures using a
CSP relationship as in [1]_; requires a chemical's critical temperature
and pressure as well as boiling point.
The vapor pressure is given by:
.. math::
\ln P^{sat}_r = ... | def boiling_critical_relation(T, Tb, Tc, Pc):
r'''Calculates vapor pressure of a fluid at arbitrary temperatures using a
CSP relationship as in [1]_; requires a chemical's critical temperature
and pressure as well as boiling point.
The vapor pressure is given by:
.. math::
\ln P^{sat}_r = ... | [
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valid | Lee_Kesler | r'''Calculates vapor pressure of a fluid at arbitrary temperatures using a
CSP relationship by [1]_; requires a chemical's critical temperature and
acentric factor.
The vapor pressure is given by:
.. math::
\ln P^{sat}_r = f^{(0)} + \omega f^{(1)}
f^{(0)} = 5.92714-\frac{6.09648}{T_r}... | thermo/vapor_pressure.py | def Lee_Kesler(T, Tc, Pc, omega):
r'''Calculates vapor pressure of a fluid at arbitrary temperatures using a
CSP relationship by [1]_; requires a chemical's critical temperature and
acentric factor.
The vapor pressure is given by:
.. math::
\ln P^{sat}_r = f^{(0)} + \omega f^{(1)}
... | def Lee_Kesler(T, Tc, Pc, omega):
r'''Calculates vapor pressure of a fluid at arbitrary temperatures using a
CSP relationship by [1]_; requires a chemical's critical temperature and
acentric factor.
The vapor pressure is given by:
.. math::
\ln P^{sat}_r = f^{(0)} + \omega f^{(1)}
... | [
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... | 3857ed023a3e64fd3039a32d53576c24990ef1c3 |
valid | Ambrose_Walton | r'''Calculates vapor pressure of a fluid at arbitrary temperatures using a
CSP relationship by [1]_; requires a chemical's critical temperature and
acentric factor.
The vapor pressure is given by:
.. math::
\ln P_r=f^{(0)}+\omega f^{(1)}+\omega^2f^{(2)}
f^{(0)}=\frac{-5.97616\tau + 1.... | thermo/vapor_pressure.py | def Ambrose_Walton(T, Tc, Pc, omega):
r'''Calculates vapor pressure of a fluid at arbitrary temperatures using a
CSP relationship by [1]_; requires a chemical's critical temperature and
acentric factor.
The vapor pressure is given by:
.. math::
\ln P_r=f^{(0)}+\omega f^{(1)}+\omega^2f^{(2)... | def Ambrose_Walton(T, Tc, Pc, omega):
r'''Calculates vapor pressure of a fluid at arbitrary temperatures using a
CSP relationship by [1]_; requires a chemical's critical temperature and
acentric factor.
The vapor pressure is given by:
.. math::
\ln P_r=f^{(0)}+\omega f^{(1)}+\omega^2f^{(2)... | [
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valid | Sanjari | r'''Calculates vapor pressure of a fluid at arbitrary temperatures using a
CSP relationship by [1]_. Requires a chemical's critical temperature,
pressure, and acentric factor. Although developed for refrigerants,
this model should have some general predictive ability.
The vapor pressure of a chemical a... | thermo/vapor_pressure.py | def Sanjari(T, Tc, Pc, omega):
r'''Calculates vapor pressure of a fluid at arbitrary temperatures using a
CSP relationship by [1]_. Requires a chemical's critical temperature,
pressure, and acentric factor. Although developed for refrigerants,
this model should have some general predictive ability.
... | def Sanjari(T, Tc, Pc, omega):
r'''Calculates vapor pressure of a fluid at arbitrary temperatures using a
CSP relationship by [1]_. Requires a chemical's critical temperature,
pressure, and acentric factor. Although developed for refrigerants,
this model should have some general predictive ability.
... | [
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valid | Edalat | r'''Calculates vapor pressure of a fluid at arbitrary temperatures using a
CSP relationship by [1]_. Requires a chemical's critical temperature,
pressure, and acentric factor. Claimed to have a higher accuracy than the
Lee-Kesler CSP relationship.
The vapor pressure of a chemical at `T` is given by:
... | thermo/vapor_pressure.py | def Edalat(T, Tc, Pc, omega):
r'''Calculates vapor pressure of a fluid at arbitrary temperatures using a
CSP relationship by [1]_. Requires a chemical's critical temperature,
pressure, and acentric factor. Claimed to have a higher accuracy than the
Lee-Kesler CSP relationship.
The vapor pressure of... | def Edalat(T, Tc, Pc, omega):
r'''Calculates vapor pressure of a fluid at arbitrary temperatures using a
CSP relationship by [1]_. Requires a chemical's critical temperature,
pressure, and acentric factor. Claimed to have a higher accuracy than the
Lee-Kesler CSP relationship.
The vapor pressure of... | [
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valid | VaporPressure.load_all_methods | r'''Method which picks out coefficients for the specified chemical
from the various dictionaries and DataFrames storing it. All data is
stored as attributes. This method also sets :obj:`Tmin`, :obj:`Tmax`,
and :obj:`all_methods` as a set of methods for which the data exists for.
Called ... | thermo/vapor_pressure.py | def load_all_methods(self):
r'''Method which picks out coefficients for the specified chemical
from the various dictionaries and DataFrames storing it. All data is
stored as attributes. This method also sets :obj:`Tmin`, :obj:`Tmax`,
and :obj:`all_methods` as a set of methods for which t... | def load_all_methods(self):
r'''Method which picks out coefficients for the specified chemical
from the various dictionaries and DataFrames storing it. All data is
stored as attributes. This method also sets :obj:`Tmin`, :obj:`Tmax`,
and :obj:`all_methods` as a set of methods for which t... | [
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valid | VaporPressure.calculate | r'''Method to calculate vapor pressure of a fluid at temperature `T`
with a given method.
This method has no exception handling; see `T_dependent_property`
for that.
Parameters
----------
T : float
Temperature at calculate vapor pressure, [K]
method ... | thermo/vapor_pressure.py | def calculate(self, T, method):
r'''Method to calculate vapor pressure of a fluid at temperature `T`
with a given method.
This method has no exception handling; see `T_dependent_property`
for that.
Parameters
----------
T : float
Temperature at calcu... | def calculate(self, T, method):
r'''Method to calculate vapor pressure of a fluid at temperature `T`
with a given method.
This method has no exception handling; see `T_dependent_property`
for that.
Parameters
----------
T : float
Temperature at calcu... | [
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valid | TWU_a_alpha_common | r'''Function to calculate `a_alpha` and optionally its first and second
derivatives for the TWUPR or TWUSRK EOS. Returns 'a_alpha', and
optionally 'da_alpha_dT' and 'd2a_alpha_dT2'.
Used by `TWUPR` and `TWUSRK`; has little purpose on its own.
See either class for the correct reference, and examples of ... | thermo/eos.py | def TWU_a_alpha_common(T, Tc, omega, a, full=True, quick=True, method='PR'):
r'''Function to calculate `a_alpha` and optionally its first and second
derivatives for the TWUPR or TWUSRK EOS. Returns 'a_alpha', and
optionally 'da_alpha_dT' and 'd2a_alpha_dT2'.
Used by `TWUPR` and `TWUSRK`; has little pur... | def TWU_a_alpha_common(T, Tc, omega, a, full=True, quick=True, method='PR'):
r'''Function to calculate `a_alpha` and optionally its first and second
derivatives for the TWUPR or TWUSRK EOS. Returns 'a_alpha', and
optionally 'da_alpha_dT' and 'd2a_alpha_dT2'.
Used by `TWUPR` and `TWUSRK`; has little pur... | [
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valid | GCEOS.check_sufficient_inputs | Method to an exception if none of the pairs (T, P), (T, V), or
(P, V) are given. | thermo/eos.py | def check_sufficient_inputs(self):
'''Method to an exception if none of the pairs (T, P), (T, V), or
(P, V) are given. '''
if not ((self.T and self.P) or (self.T and self.V) or (self.P and self.V)):
raise Exception('Either T and P, or T and V, or P and V are required') | def check_sufficient_inputs(self):
'''Method to an exception if none of the pairs (T, P), (T, V), or
(P, V) are given. '''
if not ((self.T and self.P) or (self.T and self.V) or (self.P and self.V)):
raise Exception('Either T and P, or T and V, or P and V are required') | [
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valid | GCEOS.solve | First EOS-generic method; should be called by all specific EOSs.
For solving for `T`, the EOS must provide the method `solve_T`.
For all cases, the EOS must provide `a_alpha_and_derivatives`.
Calls `set_from_PT` once done. | thermo/eos.py | def solve(self):
'''First EOS-generic method; should be called by all specific EOSs.
For solving for `T`, the EOS must provide the method `solve_T`.
For all cases, the EOS must provide `a_alpha_and_derivatives`.
Calls `set_from_PT` once done.
'''
self.check_sufficient_inp... | def solve(self):
'''First EOS-generic method; should be called by all specific EOSs.
For solving for `T`, the EOS must provide the method `solve_T`.
For all cases, the EOS must provide `a_alpha_and_derivatives`.
Calls `set_from_PT` once done.
'''
self.check_sufficient_inp... | [
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valid | GCEOS.set_from_PT | Counts the number of real volumes in `Vs`, and determines what to do.
If there is only one real volume, the method
`set_properties_from_solution` is called with it. If there are
two real volumes, `set_properties_from_solution` is called once with
each volume. The phase is returned by ... | thermo/eos.py | def set_from_PT(self, Vs):
'''Counts the number of real volumes in `Vs`, and determines what to do.
If there is only one real volume, the method
`set_properties_from_solution` is called with it. If there are
two real volumes, `set_properties_from_solution` is called once with
... | def set_from_PT(self, Vs):
'''Counts the number of real volumes in `Vs`, and determines what to do.
If there is only one real volume, the method
`set_properties_from_solution` is called with it. If there are
two real volumes, `set_properties_from_solution` is called once with
... | [
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valid | GCEOS.set_properties_from_solution | r'''Sets all interesting properties which can be calculated from an
EOS alone. Determines which phase the fluid is on its own; for details,
see `phase_identification_parameter`.
The list of properties set is as follows, with all properties suffixed
with '_l' or '_g'.
... | thermo/eos.py | def set_properties_from_solution(self, T, P, V, b, delta, epsilon, a_alpha,
da_alpha_dT, d2a_alpha_dT2, quick=True):
r'''Sets all interesting properties which can be calculated from an
EOS alone. Determines which phase the fluid is on its own; for details,
s... | def set_properties_from_solution(self, T, P, V, b, delta, epsilon, a_alpha,
da_alpha_dT, d2a_alpha_dT2, quick=True):
r'''Sets all interesting properties which can be calculated from an
EOS alone. Determines which phase the fluid is on its own; for details,
s... | [
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valid | GCEOS.solve_T | Generic method to calculate `T` from a specified `P` and `V`.
Provides SciPy's `newton` solver, and iterates to solve the general
equation for `P`, recalculating `a_alpha` as a function of temperature
using `a_alpha_and_derivatives` each iteration.
Parameters
----------
... | thermo/eos.py | def solve_T(self, P, V, quick=True):
'''Generic method to calculate `T` from a specified `P` and `V`.
Provides SciPy's `newton` solver, and iterates to solve the general
equation for `P`, recalculating `a_alpha` as a function of temperature
using `a_alpha_and_derivatives` each iteration.... | def solve_T(self, P, V, quick=True):
'''Generic method to calculate `T` from a specified `P` and `V`.
Provides SciPy's `newton` solver, and iterates to solve the general
equation for `P`, recalculating `a_alpha` as a function of temperature
using `a_alpha_and_derivatives` each iteration.... | [
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valid | GCEOS.volume_solutions | r'''Solution of this form of the cubic EOS in terms of volumes. Returns
three values, all with some complex part.
Parameters
----------
T : float
Temperature, [K]
P : float
Pressure, [Pa]
b : float
Coefficient calculated by EOS-speci... | thermo/eos.py | def volume_solutions(T, P, b, delta, epsilon, a_alpha, quick=True):
r'''Solution of this form of the cubic EOS in terms of volumes. Returns
three values, all with some complex part.
Parameters
----------
T : float
Temperature, [K]
P : float
Pres... | def volume_solutions(T, P, b, delta, epsilon, a_alpha, quick=True):
r'''Solution of this form of the cubic EOS in terms of volumes. Returns
three values, all with some complex part.
Parameters
----------
T : float
Temperature, [K]
P : float
Pres... | [
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valid | GCEOS.Psat | r'''Generic method to calculate vapor pressure for a specified `T`.
From Tc to 0.32Tc, uses a 10th order polynomial of the following form:
.. math::
\ln\frac{P_r}{T_r} = \sum_{k=0}^{10} C_k\left(\frac{\alpha}{T_r}
-1\right)^{k}
If `p... | thermo/eos.py | def Psat(self, T, polish=False):
r'''Generic method to calculate vapor pressure for a specified `T`.
From Tc to 0.32Tc, uses a 10th order polynomial of the following form:
.. math::
\ln\frac{P_r}{T_r} = \sum_{k=0}^{10} C_k\left(\frac{\alpha}{T_r}
-1\righ... | def Psat(self, T, polish=False):
r'''Generic method to calculate vapor pressure for a specified `T`.
From Tc to 0.32Tc, uses a 10th order polynomial of the following form:
.. math::
\ln\frac{P_r}{T_r} = \sum_{k=0}^{10} C_k\left(\frac{\alpha}{T_r}
-1\righ... | [
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valid | GCEOS.dPsat_dT | r'''Generic method to calculate the temperature derivative of vapor
pressure for a specified `T`. Implements the analytical derivative
of the two polynomials described in `Psat`.
As with `Psat`, results above the critical temperature are meaningless.
The first-order polynomial... | thermo/eos.py | def dPsat_dT(self, T):
r'''Generic method to calculate the temperature derivative of vapor
pressure for a specified `T`. Implements the analytical derivative
of the two polynomials described in `Psat`.
As with `Psat`, results above the critical temperature are meaningless.
... | def dPsat_dT(self, T):
r'''Generic method to calculate the temperature derivative of vapor
pressure for a specified `T`. Implements the analytical derivative
of the two polynomials described in `Psat`.
As with `Psat`, results above the critical temperature are meaningless.
... | [
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valid | GCEOS.V_l_sat | r'''Method to calculate molar volume of the liquid phase along the
saturation line.
Parameters
----------
T : float
Temperature, [K]
Returns
-------
V_l_sat : float
Liquid molar volume along the saturation line, [m^3/mol]
... | thermo/eos.py | def V_l_sat(self, T):
r'''Method to calculate molar volume of the liquid phase along the
saturation line.
Parameters
----------
T : float
Temperature, [K]
Returns
-------
V_l_sat : float
Liquid molar volume along the satur... | def V_l_sat(self, T):
r'''Method to calculate molar volume of the liquid phase along the
saturation line.
Parameters
----------
T : float
Temperature, [K]
Returns
-------
V_l_sat : float
Liquid molar volume along the satur... | [
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"]"
] | CalebBell/thermo | python | https://github.com/CalebBell/thermo/blob/3857ed023a3e64fd3039a32d53576c24990ef1c3/thermo/eos.py#L739-L762 | [
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valid | GCEOS.V_g_sat | r'''Method to calculate molar volume of the vapor phase along the
saturation line.
Parameters
----------
T : float
Temperature, [K]
Returns
-------
V_g_sat : float
Gas molar volume along the saturation line, [m^3/mol]
... | thermo/eos.py | def V_g_sat(self, T):
r'''Method to calculate molar volume of the vapor phase along the
saturation line.
Parameters
----------
T : float
Temperature, [K]
Returns
-------
V_g_sat : float
Gas molar volume along the saturatio... | def V_g_sat(self, T):
r'''Method to calculate molar volume of the vapor phase along the
saturation line.
Parameters
----------
T : float
Temperature, [K]
Returns
-------
V_g_sat : float
Gas molar volume along the saturatio... | [
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] | CalebBell/thermo | python | https://github.com/CalebBell/thermo/blob/3857ed023a3e64fd3039a32d53576c24990ef1c3/thermo/eos.py#L764-L787 | [
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"... | 3857ed023a3e64fd3039a32d53576c24990ef1c3 |
valid | GCEOS.Hvap | r'''Method to calculate enthalpy of vaporization for a pure fluid from
an equation of state, without iteration.
.. math::
\frac{dP^{sat}}{dT}=\frac{\Delta H_{vap}}{T(V_g - V_l)}
Results above the critical temperature are meaningless. A first-order
polynomia... | thermo/eos.py | def Hvap(self, T):
r'''Method to calculate enthalpy of vaporization for a pure fluid from
an equation of state, without iteration.
.. math::
\frac{dP^{sat}}{dT}=\frac{\Delta H_{vap}}{T(V_g - V_l)}
Results above the critical temperature are meaningless. A fir... | def Hvap(self, T):
r'''Method to calculate enthalpy of vaporization for a pure fluid from
an equation of state, without iteration.
.. math::
\frac{dP^{sat}}{dT}=\frac{\Delta H_{vap}}{T(V_g - V_l)}
Results above the critical temperature are meaningless. A fir... | [
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... | CalebBell/thermo | python | https://github.com/CalebBell/thermo/blob/3857ed023a3e64fd3039a32d53576c24990ef1c3/thermo/eos.py#L789-L833 | [
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... | 3857ed023a3e64fd3039a32d53576c24990ef1c3 |
valid | ALPHA_FUNCTIONS.Heyen | r'''Method to calculate `a_alpha` and its first and second
derivatives according to Heyen (1980) [1]_. Returns `a_alpha`, `da_alpha_dT`,
and `d2a_alpha_dT2`. See `GCEOS.a_alpha_and_derivatives` for more
documentation. Two coefficients needed.
.. math::
\alpha = e^... | thermo/eos.py | def Heyen(self, T, full=True, quick=True):
r'''Method to calculate `a_alpha` and its first and second
derivatives according to Heyen (1980) [1]_. Returns `a_alpha`, `da_alpha_dT`,
and `d2a_alpha_dT2`. See `GCEOS.a_alpha_and_derivatives` for more
documentation. Two coefficients needed.... | def Heyen(self, T, full=True, quick=True):
r'''Method to calculate `a_alpha` and its first and second
derivatives according to Heyen (1980) [1]_. Returns `a_alpha`, `da_alpha_dT`,
and `d2a_alpha_dT2`. See `GCEOS.a_alpha_and_derivatives` for more
documentation. Two coefficients needed.... | [
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"."... | CalebBell/thermo | python | https://github.com/CalebBell/thermo/blob/3857ed023a3e64fd3039a32d53576c24990ef1c3/thermo/eos.py#L920-L945 | [
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