atmodeller.thermodata package

Submodules

atmodeller.thermodata._redox_buffers module

Redox buffers

Bases: Module

Redox buffer

This must adhere to FugacityConstraintProtocol

Parameters:

log10_shift – Log10 shift relative to the buffer. Defaults to zero.
evaluation_pressure – Pressure to evaluate the buffer at. Defaults to 1 bar. If None, then the total pressure will be used, but this can give rise to multiple solutions and should be used with caution.

log10_shift: Array: Log10 shift

evaluation_pressure: int | float | None: Evaluation pressure

Converts the pressure units

Parameters:: pressure – Pressure in bar
Returns:: Pressure in units appropriate for the calculation

Gets the log10 fugacity at the buffer

Parameters:

temperature – Temperature in K
pressure – Pressure

Returns:

Log10 fugacity at the buffer

active() → Bool[Array, '...']

True if the redox buffer is active, otherwise False

Returns:: Mask indicating whether the redox buffer is active

Gets the scaled pressure.

Parameters:: pressure – Pressure in bar
Returns:: Pressure in units appropriate for the calculation

Gets the log10 fugacity

Parameters:

temperature – Temperature in K
pressure – Pressure

Returns:

Log10 fugacity

Gets the log fugacity

Parameters:

temperature – Temperature in K
pressure – Pressure

Returns:

Log fugacity

_abc_impl = <_abc._abc_data object>

Bases: RedoxBuffer

Iron-wustite buffer [Hirschmann et al., 2008, O'Neill and Pownceby, 1993]

Experimental calibration values are provided in the abstract of Hirschmann et al. [2008].

Parameters:

log10_shift – Log10 shift relative to the buffer. Defaults to zero.
evaluation_pressure – Pressure to evaluate the buffer at. Defaults to 1 bar. If None, then the total pressure will be used, but this can give rise to multiple solutions and should be used with caution.

calibration: ExperimentalCalibration: Experimental calibration

convert_pressure_units(pressure: Array | ndarray | bool | number | bool | int | float | complex | TypedNdArray) → Array | ndarray | bool | number | bool | int | float | complex | TypedNdArray: Units are bar

Gets the log10 fugacity

Parameters:

temperature – Temperature in K
pressure – Pressure

Returns:

Log10 fugacity

_abc_impl = <_abc._abc_data object>

active() → Bool[Array, '...']

True if the redox buffer is active, otherwise False

Returns:: Mask indicating whether the redox buffer is active

Gets the scaled pressure.

Parameters:: pressure – Pressure in bar
Returns:: Pressure in units appropriate for the calculation

Gets the log10 fugacity

Parameters:

temperature – Temperature in K
pressure – Pressure

Returns:

Log10 fugacity

Gets the log fugacity

Parameters:

temperature – Temperature in K
pressure – Pressure

Returns:

Log fugacity

log10_shift: Array: Log10 shift

evaluation_pressure: int | float | None: Evaluation pressure

Bases: RedoxBuffer

Iron-wustite buffer [Hirschmann, 2021]

Regarding the calibration, Hirschmann [2021] states that: ‘It extrapolates smoothly to higher temperature, though not calibrated above 3000 K. Extrapolation to lower temperatures (<1000 K) or higher pressures (>100 GPa) is not recommended.’

Parameters:

log10_shift – Log10 shift relative to the buffer. Defaults to zero.
evaluation_pressure – Pressure to evaluate the buffer at. Defaults to 1 bar. If None, then the total pressure will be used, but this can give rise to multiple solutions and should be used with caution.

_abc_impl = <_abc._abc_data object>

active() → Bool[Array, '...']

True if the redox buffer is active, otherwise False

Returns:: Mask indicating whether the redox buffer is active

Gets the scaled pressure.

Parameters:: pressure – Pressure in bar
Returns:: Pressure in units appropriate for the calculation

Gets the log10 fugacity

Parameters:

temperature – Temperature in K
pressure – Pressure

Returns:

Log10 fugacity

Gets the log fugacity

Parameters:

temperature – Temperature in K
pressure – Pressure

Returns:

Log fugacity

calibration: ExperimentalCalibration: Experimental calibration

log10_shift: Array: Log10 shift

evaluation_pressure: int | float | None: Evaluation pressure

a: tuple[float, ...]: a coefficients

b: tuple[float, ...]: b coefficients

c: tuple[float, ...]: c coefficients

d: tuple[float, ...]: d coefficients

e: tuple[float, ...]: e coefficients

f: tuple[float, ...]: f coefficients

g: tuple[float, ...]: g coefficients

h: tuple[float, ...]: h coefficients

x: tuple[float, ...]: Coefficients to define the threshold to use the hcp iron formulation

convert_pressure_units(pressure: Array | ndarray | bool | number | bool | int | float | complex | TypedNdArray) → Array | ndarray | bool | number | bool | int | float | complex | TypedNdArray: Units are GPa

Evaluates an m parameter

Parameters:

pressure – Pressure in GPa
coefficients – Coefficients

Returns:

m parameter

Evaluates the fO2

Parameters:

temperature – Temperature in K
pressure – Pressure in GPa
coefficients – Coefficients

Returns:

log10fO2

log10fO2 for fcc and bcc iron

Parameters:

temperature – Temperature in K
pressure – Pressure in GPa

Returns:

log10fO2 for fcc and bcc iron

log10fO2 for hcp iron

Parameters:

temperature – Temperature in K
pressure – Pressure in GPa

Returns:

log10fO2 for hcp iron

Check to use hcp iron formulation for fO2

Parameters:

temperature – Temperature in K
pressure – Pressure in GPa

Returns:

True/False whether to use the hcp iron formulation

Gets the log10 fugacity

Parameters:

temperature – Temperature in K
pressure – Pressure

Returns:

Log10 fugacity

Bases: RedoxBuffer

Composite iron-wustite buffer using Hirschmann et al. [2008], O'Neill and Pownceby [1993] and Hirschmann [2021]

Parameters:

log10_shift – Log10 shift relative to the buffer. Defaults to 0.
evaluation_pressure – Pressure to evaluate the buffer at. Defaults to 1 bar. If None, then the total pressure will be used, but this can give rise to multiple solutions and should be used with caution.

_abc_impl = <_abc._abc_data object>

active() → Bool[Array, '...']

True if the redox buffer is active, otherwise False

Returns:: Mask indicating whether the redox buffer is active

Gets the scaled pressure.

Parameters:: pressure – Pressure in bar
Returns:: Pressure in units appropriate for the calculation

Gets the log10 fugacity

Parameters:

temperature – Temperature in K
pressure – Pressure

Returns:

Log10 fugacity

Gets the log fugacity

Parameters:

temperature – Temperature in K
pressure – Pressure

Returns:

Log fugacity

log10_shift: Array: Log10 shift

evaluation_pressure: int | float | None: Evaluation pressure

calibration: ExperimentalCalibration: Experimental calibration

low_temperature_buffer: IronWustiteBufferHirschmann08: Low temperature buffer

high_temperature_buffer: IronWustiteBufferHirschmann21: High temperature buffer

Units are bar

Not used for a composite redox buffer but required by the interface.

Check to use the low temperature buffer for fO2

Parameters:: temperature – Temperature in K
Returns:: True/False whether to use the low temperature formulation

Gets the log10 fugacity at the buffer

Parameters:

temperature – Temperature in K
pressure – Pressure

Returns:

Log10 fugacity at the buffer

atmodeller.thermodata._redox_buffers.IronWustiteBuffer: alias of IronWustiteBufferHirschmann

atmodeller.thermodata.core module

Core classes and functions for thermochemical and critical data

atmodeller.thermodata.core.DATA_DIRECTORY: Traversable = MultiplexedPath('/home/docs/checkouts/readthedocs.org/user_builds/atmodeller/checkouts/latest/atmodeller/thermodata/data'): Data directory

atmodeller.thermodata.core.THERMODYNAMIC_DATA_SOURCE: Path = PosixPath('nasa_glenn_coefficients.txt'): Source of the thermodynamic data

atmodeller.thermodata.core.CRITICAL_DATA_SOURCE: Path = PosixPath('critical_data.txt'): Source of the critical data

Bases: Module

Activity of a stable condensate

Parameters:: activity – Activity. Defaults to 1.

activity: Array = 1: Activity

active() → Bool[Array, '...']

Active activity constraint

Condensate activity is imposed in the reaction network and therefore is never part of an active constraint in the residual.

Returns:: Always False because it does not require solution.

Log activity

Parameters:

temperature – Temperature in K
pressure – Pressure in bar

Returns:

Log activity, which is dimensionless

log_fugacity(temperature: Array | ndarray | bool | number | bool | int | float | complex | TypedNdArray, pressure: Array | ndarray | bool | number | bool | int | float | complex | TypedNdArray) → Float[Array, '...']

_abc_impl = <_abc._abc_data object>

class atmodeller.thermodata.core.ThermodynamicCoefficients(b1: Any, b2: Any, cp_coeffs: Any, T_min: Any, T_max: Any)

Bases: Module

NASA Glenn coefficients for the thermodynamic properties of an individual species

Coefficients are available at https://ntrs.nasa.gov/citations/20020085330

Parameters:

b1 – Enthalpy constant(s) of integration
b2 – Entropy constant(s) of integration
cp_coeffs – Heat capacity coefficients
T_min – Minimum temperature(s) in K in the range
T_max – Maximum temperature(s) in K in the range

b1: tuple[float, ...]: Enthalpy constant(s) of integration

b2: tuple[float, ...]: Entropy constant(s) of integration

cp_coeffs: tuple[tuple[float, ...], ...]: Heat capacity coefficients

T_min: tuple[float, ...]: Minimum temperature(s) in K in the range

T_max: tuple[float, ...]: Maximum temperature(s) in K in the range

Gets the index of the temperature range for the given temperature

This assumes the temperature is within one of the ranges and will produce unexpected output if the temperature is outside the ranges.

Parameters:: temperature – Temperature in K
Returns:: Index of the temperature range

Heat capacity relative to GAS_CONSTANT

Parameters:

cp_coefficients – Heat capacity coefficients
temperature – Temperature in K

Returns:

Heat capacity relative to GAS_CONSTANT

Entropy relative to GAS_CONSTANT

Parameters:

cp_coefficients – Heat capacity coefficients
b2 – Entropy integration constant
temperature – Temperature in K

Returns:

Entropy relative to GAS_CONSTANT

Enthalpy relative to GAS_CONSTANT \(\times T\)

Parameters:

cp_coefficients – Heat capacity coefficients as an array
b1 – Enthalpy integration constant
temperature – Temperature in K

Returns:

Enthalpy relative to GAS_CONSTANT \(\times T\)

Gibbs energy relative to GAS_CONSTANT \(\times T\)

Parameters:

cp_coefficients – Heat capacity coefficients as an array
b1 – Enthalpy integration constant
b2 – Entropy integration constant
temperature – Temperature in K

Returns:

Gibbs energy relative to GAS_CONSTANT \(\times T\)

Gets Gibbs energy to GAS_CONSTANT \(\times T\)

Parameters:: temperature – Temperature in K
Returns:: Gibbs energy relative to GAS_CONSTANT \(\times T\)

Gets heat capacity.

This is \(C_p^\circ\) in the JANAF tables.

Parameters:: temperature – Temperature in K
Returns:: Heat capacity in \(\mathrm{J}\ \mathrm{K}^{-1} \mathrm{mol}^{-1}\)

Gets enthalpy.

This is \(H\) in the JANAF tables.

Parameters:: temperature – Temperature in K
Returns:: Enthalpy in \(\mathrm{J}\ \mathrm{mol}^{-1}\)

reference_enthalpy() → Float[Array, '']

Gets reference enthalpy.

This is \(H^{\circ}(T_r)\) in the JANAF tables.

Parameters:: temperature – Temperature in K
Returns:: Reference enthalpy in \(\mathrm{J}\ \mathrm{mol}^{-1}\)

Gets enthalpy function/increment.

This is \(H-H^{\circ}(T_r)\) in the JANAF tables.

Parameters:: temperature – Temperature in K
Returns:: Enthalpy increment in \(\mathrm{J}\ \mathrm{mol}^{-1}\)

Gets entropy

This is \(S^\circ\) in the JANAF tables.

Parameters:: temperature – Temperature in K
Returns:: Entropy in \(\mathrm{J}\ \mathrm{K}^{-1} \mathrm{mol}^{-1}\)

Gets Gibbs energy function.

This is \(-[G^\circ-H^{\circ}(T_r)]/T\) in the JANAF tables.

Parameters:: temperature – Temperature in K
Returns:: Gibbs energy function in \(\mathrm{J}\ \mathrm{K}^{-1} \mathrm{mol}^{-1}\)

_abc_impl = <_abc._abc_data object>

class atmodeller.thermodata.core.ThermodynamicDataSource

Bases: object

Thermodynamic data source for all species

data: DataFrame: Thermodynamic data for all species

property formula_column: str: Name of the column that refers to the hill formula

property state_column: str: Name of the column that refers to the state of aggregation

available_species() → tuple[str, ...]

Available species

Returns:: Available species

create_dictionary() → dict[str, ThermodynamicCoefficients]

Dictionary of thermodynamic coefficients for all species

Returns:: Dictionary of thermodynamic coefficients for all species

class atmodeller.thermodata.core.CriticalData(temperature: Any = 1, pressure: Any = 1)

Bases: Module

Critical temperature and pressure of a gas species

Parameters:

temperature – Critical temperature in K
pressure – Critical pressure in bar

temperature: float = 1: Critical temperature in K

pressure: float = 1: Critical pressure in bar

_abc_impl = <_abc._abc_data object>

class atmodeller.thermodata.core.CriticalDataSource

Bases: object

Critical data source for all species

data: DataFrame: Critical data for all species

property name_column: str: Name of the column that refers to the hill formula and an optional suffix

property critical_temperature_column: str: Name of the column that refers to the critical temperature in K

property critical_pressure_column: str: Name of the column that refers to the critical pressure

create_dictionary() → dict[str, CriticalData]

Dictionary of critical data for all species

Returns:: Dictionary of critical data for all species

atmodeller.thermodata.core.thermodynamic_data_source: ThermodynamicDataSource = ThermodynamicDataSource(data= hill_formula state phase ... a7 b1 b2 0 Al g NaN ... -3.944376e-14 3.887413e+04 6.086586 1 Al g NaN ... 5.053278e-16 3.823289e+04 6.600920 2 Al g NaN ... -4.696039e-16 -2.901051e+06 949.188316 3 AlO g NaN ... -2.647889e-12 5.843672e+03 21.609978 4 AlO g NaN ... -2.280655e-14 -1.331695e+04 68.306634 .. ... ... ... ... ... ... ... 236 S cd l ... 0.000000e+00 1.113013e+04 136.317418 237 S cd l ... 0.000000e+00 -8.284590e+02 -17.361282 238 Si cd cr ... 0.000000e+00 -7.850635e+02 -10.384273 239 Si cd cr ... 0.000000e+00 -1.042947e+03 -14.389642 240 Si cd l ... 0.000000e+00 4.882667e+03 -13.266111 [241 rows x 14 columns])

Thermodynamic data source

atmodeller.thermodata.core.thermodynamic_coefficients_dictionary: dict[str, ThermodynamicCoefficients] = {'Al2O2_g': ThermodynamicCoefficients( b1=(-51726.9728, -49630.5578), b2=(9.923995945, -29.4653809), cp_coeffs=( ( -19405.60042, 250.8489836, 3.62140379, 0.01951385302, -2.560329071e-05, 1.662721576e-08, -4.3123962e-12 ), ( -194061.1656, -460.975243, 10.84375637, -0.0001376042893, 3.044733119e-08, -3.49619392e-12, 1.622305079e-16 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'Al2O3_cd': ThermodynamicCoefficients( b1=(-666013.465, -207923.5447, -206078.7581, -202770.1571), b2=(4235.50223, -81.3602948, -69.66603728, -110.8590952), cp_coeffs=( ( -5391549.97, 103667.6983, -817.322915, 3.38825872, -0.00751240036, 8.65924882e-06, -4.06608567e-09 ), (-604208.7868, 0.0, 14.75480816, 0.0008272285438, 0.0, 0.0, 0.0), (0.0, 0.0, 12.93774378, 0.001992781294, 0.0, 0.0, 0.0), (0.0, 0.0, 19.59225499, 0.0, 0.0, 0.0, 0.0) ), T_min=(200.0, 500.0, 1200.0, 2327.0), T_max=(500.0, 1200.0, 2327.0, 6000.0) ), 'Al2O3_g': ThermodynamicCoefficients( b1=(-68726.8595, -67907.5785), b2=(2.202324298, -43.75559873), cp_coeffs=( ( -7443.37432, 88.2900421, 5.26466264, 0.02507678848, -3.43454165e-05, 2.30251698e-08, -6.12252928e-12 ), ( -277778.4969, -491.746593, 13.86703888, -0.000146938194, 3.25040649e-08, -3.73086735e-12, 1.7304442839999998e-16 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'Al2O_g': ThermodynamicCoefficients( b1=(-18865.12879, -19475.80149), b2=(-0.02806368311, -14.15764167), cp_coeffs=( ( 7776.5307, -129.4235361, 4.91250952, 0.00860422345, -1.217703648e-05, 8.31463487e-09, -2.237722201e-12 ), ( -117107.4351, -178.3009166, 7.63321536, -5.33593177e-05, 1.180702791e-08, -1.355444579e-12, 6.28732389e-17 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'Al2_g': ThermodynamicCoefficients( b1=(59007.0639, 2904.589544), b2=(3.060188921, 99.60320745), cp_coeffs=( ( -5281.50965, -17.27374523, 4.60407701, -0.000261646777, 6.30231997e-07, -3.29093859e-10, 8.888365140000001e-14 ), ( -2320724.102, 9218.70789, -9.44695187, 0.00999992001, -3.154798085e-06, 4.36154481e-10, -2.2411572400000003e-14 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'AlO2_g': ThermodynamicCoefficients( b1=(-3826.1458, -2033.107586), b2=(-4.83002248, -17.15063884), cp_coeffs=( ( 43384.8045, -473.529226, 6.00171767, 0.00709442088, -1.129107996e-05, 8.25269168e-09, -2.327652976e-12 ), ( 118721.6642, -833.56254, 8.30930119, -0.000353866722, 5.96706946e-08, 4.0148977000000006e-14, -3.5157025199999996e-16 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'AlO_g': ThermodynamicCoefficients( b1=(5843.67217, -13316.94655, 295778.6517), b2=(21.60997839, 68.30663436, -94.27715804), cp_coeffs=( ( -7683.3911, 295.7969549, 0.480810844, 0.01169224855, -1.595428871e-05, 1.060766814e-08, -2.647888708e-12 ), ( 15657.21161, 3855.74101, -5.92607978, 0.00905096042, -2.930661549e-06, 4.23852907e-10, -2.2806553410000003e-14 ), ( 41656612.1, -37686.0876, 15.47867956, -0.000956873034, 2.493109541e-08, 6.688940290000001e-14, -8.9986737e-18 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'Al_g': ThermodynamicCoefficients( b1=(38874.1268, 38232.8865, -2901050.501), b2=(6.086585765, 6.600920155, 949.188316), cp_coeffs=( ( 5006.60889, 18.61304407, 2.412531111, 0.0001987604647, -2.432362152e-07, 1.538281506e-10, -3.944375734e-14 ), ( -29208.20938, 116.7751876, 2.356906505, 7.73723152e-05, -1.529455262e-08, -9.97167026e-13, 5.053278264e-16 ), ( -504068232.0, 380232.265, -108.2347159, 0.01549444292, -1.070103856e-06, 3.5921109e-11, -4.696039393999999e-16 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'Ar_g': ThermodynamicCoefficients( b1=(-745.375, -744.993961, -5078300.34), b2=(4.37967491, 4.37918011, 1465.298484), cp_coeffs=( (0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0), ( 20.10538475, -0.0599266107, 2.500069401, -3.99214116e-08, 1.20527214e-11, -1.819015576e-15, 1.078576636e-19 ), ( -995126508.0, 645888.726, -167.5894697, 0.02319933363, -1.721080911e-06, 6.53193846e-11, -9.740147729e-16 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'C2H2_g': ThermodynamicCoefficients( b1=(37126.1906, 62665.7897), b2=(-52.443389, -58.1896059), cp_coeffs=( ( 159811.2089, -2216.644118, 12.65707813, -0.00797965108, 8.05499275e-06, -2.433307673e-09, -7.52923318e-14 ), ( 1713847.41, -5929.10666, 12.36127943, 0.0001314186993, -1.362764431e-07, 2.712655786e-11, -1.302066204e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'C2H3N_g': ThermodynamicCoefficients( b1=(-1461.161333, 80585.6555), b2=(68.52508274, -129.2249102), cp_coeffs=( ( -99659.8838, 1739.278534, -7.89842082, 0.0429489432, -4.49997388e-05, 2.717105086e-08, -7.02611759e-12 ), ( 2923231.393, -12337.92258, 23.24477222, -0.002411565845, 4.62215717e-07, -4.74060124e-11, 2.0106394670000002e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'C2H3_g': ThermodynamicCoefficients( b1=(30391.22649, 97650.5559), b2=(58.0922618, -97.6008686), cp_coeffs=( ( -33478.9687, 1064.104103, -6.40385706, 0.0393451548, -4.76004609e-05, 3.17007135e-08, -8.63340643e-12 ), ( 2718080.093, -10309.56829, 18.36579807, -0.001580131153, 2.680594939e-07, -2.439003999e-11, 9.20909639e-16 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'C2H4_g': ThermodynamicCoefficients( b1=(-6176.19107, 88204.2938), b2=(109.3338343, -137.1278108), cp_coeffs=( ( -116360.5836, 2554.85151, -16.09746428, 0.0662577932, -7.88508186e-05, 5.12522482e-08, -1.370340031e-11 ), ( 3408763.67, -13748.47903, 23.65898074, -0.002423804419, 4.43139566e-07, -4.35268339e-11, 1.775410633e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'C2H5_g': ThermodynamicCoefficients( b1=(598.141884, 113701.0087), b2=(109.096652, -163.9357995), cp_coeffs=( ( -141131.2551, 2714.285088, -15.34977725, 0.0645167258, -7.25914396e-05, 4.59911601e-08, -1.218367535e-11 ), ( 4169220.4, -16629.82142, 27.95442134, -0.003051715761, 5.68516004e-07, -5.6828636e-11, 2.355648561e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'C2H6_g': ThermodynamicCoefficients( b1=(-27029.3289, 111596.395), b2=(129.8140496, -203.9410584), cp_coeffs=( ( -186204.4161, 3406.19186, -19.51705092, 0.0756583559, -8.20417322e-05, 5.0611358e-08, -1.319281992e-11 ), ( 5025782.13, -20330.22397, 33.2255293, -0.00383670341, 7.23840586e-07, -7.3191825e-11, 3.065468699e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'C2H_g': ThermodynamicCoefficients( b1=(68922.6999, 143326.6627), b2=(-18.71881626, -95.6163438), cp_coeffs=( ( 13436.69487, -506.797072, 7.77210741, -0.00651233982, 1.030117855e-05, -5.88014767e-09, 1.226901861e-12 ), ( 3922334.57, -12047.51703, 17.5617292, -0.00365544294, 6.98768543e-07, -6.82516201e-11, 2.719262793e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'C2N_g': ThermodynamicCoefficients( b1=(94800.7257, 102318.7495), b2=(5.553165572, -22.5979394), cp_coeffs=( ( -16962.81385, 98.3789163, 3.81266294, 0.00534689423, -2.473598508e-06, -3.73056422e-10, 4.48175686e-13 ), ( 79486.7489, -1344.786906, 8.30998646, -0.0002220105361, 1.753683113e-08, 2.545998719e-12, -2.645649117e-16 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'C3_g': ThermodynamicCoefficients( b1=(96351.702, 191197.6065, 1650801.763), b2=(20.25173297, -127.1869723, -608.169332), cp_coeffs=( ( -43546.1448, 666.018322, 1.451033157, 0.00743451312, -3.81015299e-06, -2.336961396e-11, 4.40705453e-13 ), ( 4508098.93, -14610.33761, 22.81974644, -0.00854434061, 2.146069341e-06, -2.103867761e-10, 6.3515890600000005e-15 ), ( 153958985.9, -208905.7498, 76.8111121, -0.00893905619, 5.59403324e-07, -1.743774353e-11, 2.1815412079999997e-16 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'C4N2_g': ThermodynamicCoefficients( b1=(75052.9947, 96674.0939), b2=(-101.757825, -96.69734738), cp_coeffs=( ( 158780.2866, -2987.184206, 23.48081602, -0.02607502448, 4.04283003e-05, -2.804912444e-08, 7.39765205e-12 ), ( 1167686.152, -6198.64418, 20.62070093, -0.001518619449, 3.16236168e-07, -3.4699228e-11, 1.555154128e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'CH2_g': ThermodynamicCoefficients( b1=(47336.2471, 96422.1689), b2=(-2.143628603, -60.9473991), cp_coeffs=( ( 32189.2173, -287.7601815, 4.20358382, 0.00345540596, -6.74619334e-06, 7.65457164e-09, -2.870328419e-12 ), ( 2550418.031, -7971.62539, 12.28924487, -0.001699122922, 2.991728605e-07, -2.767007492e-11, 1.05134174e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'CH3_g': ThermodynamicCoefficients( b1=(14082.71825, 74818.0948), b2=(20.22772791, -79.196824), cp_coeffs=( ( -28761.88806, 509.326866, 0.2002143949, 0.01363605829, -1.433989346e-05, 1.013556725e-08, -3.027331936e-12 ), ( 2760802.663, -9336.53117, 14.87729606, -0.001439429774, 2.444477951e-07, -2.224555778e-11, 8.39506576e-16 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'CH4_g': ThermodynamicCoefficients( b1=(-23313.1436, 75320.6691), b2=(89.0432275, -121.9124889), cp_coeffs=( ( -176685.0998, 2786.18102, -12.0257785, 0.0391761929, -3.61905443e-05, 2.026853043e-08, -4.97670549e-12 ), ( 3730042.76, -13835.01485, 20.49107091, -0.001961974759, 4.72731304e-07, -3.72881469e-11, 1.623737207e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'CHN_g': ThermodynamicCoefficients( b1=(20989.1545, 42215.1377), b2=(-27.46678076, -40.05774072), cp_coeffs=( ( 90982.8693, -1238.657512, 8.72130787, -0.00652824294, 8.87270083e-06, -4.80888667e-09, 9.3178985e-13 ), ( 1236889.278, -4446.73241, 9.73887485, -0.000585518264, 1.07279144e-07, -1.013313244e-11, 3.3482479799999997e-16 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'CN_g': ThermodynamicCoefficients( b1=(52284.5538, 17844.96132, -796259.412), b2=(-2.763115585, 32.82563919, 191.3139639), cp_coeffs=( ( 3949.14857, -139.1590572, 4.93083532, -0.00630467051, 1.256836472e-05, -9.8783005e-09, 2.843137221e-12 ), ( -2228006.27, 5040.73339, -0.2121897722, 0.001354901134, 1.325929798e-07, -6.93700637e-11, 5.49495227e-15 ), ( -179479811.8, 105434.6069, -17.2962417, 0.00219489553, -8.50893803e-08, 9.31869299e-13, 6.35813993e-18 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'CO2_g': ThermodynamicCoefficients( b1=(-45281.9846, -39083.5059, -8043214.51), b2=(-7.04827944, -26.52669281, 2254.177493), cp_coeffs=( ( 49436.5054, -626.411601, 5.30172524, 0.002503813816, -2.127308728e-07, -7.68998878e-10, 2.849677801e-13 ), ( 117696.2419, -1788.791477, 8.29152319, -9.22315678e-05, 4.86367688e-09, -1.891053312e-12, 6.330036589999999e-16 ), ( -1544423287.0, 1016847.056, -256.140523, 0.0336940108, -2.181184337e-06, 6.99142084e-11, -8.842351499999999e-16 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'COS_g': ThermodynamicCoefficients( b1=(-11916.57685, -8927.09669), b2=(-29.91988593, -26.36328016), cp_coeffs=( ( 85478.7643, -1319.464821, 9.73525724, -0.00687083096, 1.082331416e-05, -7.70559734e-09, 2.078570344e-12 ), ( 195909.8567, -1756.167688, 8.71043034, -0.000413942496, 1.015243648e-07, -1.159609663e-11, 5.69105386e-16 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'CO_g': ThermodynamicCoefficients( b1=(-13031.31878, -2466.261084, 5701421.13), b2=(-7.85924135, -13.87413108, -2060.704786), cp_coeffs=( ( 14890.45326, -292.2285939, 5.72452717, -0.00817623503, 1.456903469e-05, -1.087746302e-08, 3.027941827e-12 ), ( 461919.725, -1944.704863, 5.91671418, -0.000566428283, 1.39881454e-07, -1.787680361e-11, 9.62093557e-16 ), ( 886866296.0, -750037.784, 249.5474979, -0.039563511, 3.29777208e-06, -1.318409933e-10, 1.9989379480000002e-15 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'CSi_cd': ThermodynamicCoefficients( b1=(4882.66711, -10466.6776, -7787.459), b2=(-13.26611073, -21.09198538, -43.67596159), cp_coeffs=( (-2285.496383, 0.0, -0.534910062, 0.01271547084, 0.0, 0.0, 0.0), ( -126910.6658, 0.0, 3.75728696, 0.003481744565, -1.620660748e-06, 2.611097948e-10, 0.0 ), (0.0, 0.0, 7.577115188, 0.0, 0.0, 0.0, 0.0) ), T_min=(100.0, 298.15, 3103.0), T_max=(298.15, 3105.0, 6000.0) ), 'C_cd': ThermodynamicCoefficients( b1=(8943.85976, 13984.12456, 5848.13485), b2=(-72.9582474, -44.7718304, -23.50925275), cp_coeffs=( ( 113285.676, -1980.421677, 13.65384188, -0.0463609644, 0.0001021333011, -1.082893179e-07, 4.47225886e-11 ), ( 335600.441, -2596.528368, 6.94884191, -0.00348483609, 1.844192445e-06, -5.05520596e-10, 5.75063901e-14 ), ( 202310.5106, -1138.235908, 3.7002795, -0.0001833807727, 6.34368325e-08, -7.06858948e-12, 3.3354359799999995e-16 ) ), T_min=(200.0, 600.0, 2000.0), T_max=(600.0, 2000.0, 6000.0) ), 'C_g': ThermodynamicCoefficients( b1=(85457.6311, 84105.9785, 2355273.444), b2=(4.747924288, 4.130047418, -640.512316), cp_coeffs=( ( 649.503147, -0.964901086, 2.504675479, -1.281448025e-05, 1.980133654e-08, -1.606144025e-11, 5.314483411e-15 ), ( -128913.6472, 171.9528572, 2.646044387, -0.000335306895, 1.74209274e-07, -2.902817829e-11, 1.642182385e-15 ), ( 443252801.0, -288601.8412, 77.3710832, -0.00971528189, 6.64959533e-07, -2.230078776e-11, 2.899388702e-16 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'Ca2_g': ThermodynamicCoefficients( b1=(37703.508, 40818.754), b2=(-23.97744561, 18.95399607), cp_coeffs=( ( -85822.2862, 158.818896, 11.03952055, -0.0333319676, 5.34593881e-05, -4.01157324e-08, 1.160486682e-11 ), ( 240596.6267, 57.7580382, 2.347436675, 0.0001199275034, -4.32915031e-08, 7.01530269e-12, -3.70566032e-16 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'CaO_cd': ThermodynamicCoefficients( b1=(-482941.143, -78915.2508, -79918.5723), b2=(3619.04632, -36.58562837, -59.08720013), cp_coeffs=( ( -4775526.94, 90377.1142, -694.432081, 2.802477174, -0.00612940322, 6.9821678e-06, -3.24754384e-09 ), ( -145937.644, 0.0, 7.174205094, -0.001959947129, 1.291116374e-06, -2.077091735e-10, 0.0 ), (0.0, 0.0, 10.10282025, 0.0, 0.0, 0.0, 0.0) ), T_min=(200.0, 500.0, 3172.0), T_max=(500.0, 3172.0, 6000.0) ), 'CaO_g': ThermodynamicCoefficients( b1=(5937.64348, -946151.172, -1662378.721), b2=(-3.95532073, 1235.694769, 393.449193), cp_coeffs=( ( 38897.3307, -483.567735, 5.07771325, 0.000307623525, -1.159759897e-06, 8.49343334e-10, -1.495333366e-13 ), ( -49131061.7, 149586.595, -168.1654149, 0.0938195026, -2.455529428e-05, 3.07498072e-09, -1.485914237e-13 ), ( -350405513.0, 208321.2387, -39.7820927, 0.00503926872, -3.22070768e-07, 1.057379426e-11, -1.396044154e-16 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'Ca_g': ThermodynamicCoefficients( b1=(20638.92786, 158586.2323, 12586514.34), b2=(4.38454833, -160.9512955, -3692.10161), cp_coeffs=( (0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0), ( 7547341.24, -21486.42662, 25.30849567, -0.01103773705, 2.293249636e-06, -1.209075383e-10, -4.015333268e-15 ), ( 2291781634.0, -1608862.96, 431.246636, -0.0539650899, 3.53185621e-06, -1.16440385e-10, 1.527134223e-15 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'Cl2_g': ThermodynamicCoefficients( b1=(1534.069331, 121211.7724), b2=(-9.438331107, -169.0778824), cp_coeffs=( ( 34628.1517, -554.712652, 6.20758937, -0.002989632078, 3.17302729e-06, -1.793629562e-09, 4.26004359e-13 ), ( 6092569.42, -19496.27662, 28.54535795, -0.01449968764, 4.46389077e-06, -6.35852586e-10, 3.3273602900000004e-14 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'ClH4N_cd': ThermodynamicCoefficients( b1=(-38006.15346677232, -37928.815, -878797.59, 20633631.45), b2=(-43.72885943063882, 29.3301304, 3897.9369, -37659.7636), cp_coeffs=( ( 0.0, -517.2495931126793, 8.781198882486828, 0.01129216705734911, 0.0, 0.0, 0.0 ), (159338.9657, 0.0, -5.96585494, 0.0649419317, -5.39145689e-05, 0.0, 0.0), ( -16418201.57, 163926.2758, -665.452963, 1.447086973, -0.00169825416, 1.056255415e-06, -2.697574651e-10 ), ( 840959266.0, -3426760.78, 5548.09147, -4.4356743, 0.001772486202, -2.81716012e-07, 0.0 ) ), T_min=(100.0, 298.15, 457.7, 1000.0), T_max=(298.1499, 457.7, 1000.0, 1500.0) ), 'ClH_g': ThermodynamicCoefficients( b1=(-10677.82299, 5674.95805), b2=(-7.309305408, -16.42825822), cp_coeffs=( ( 20625.88287, -309.3368855, 5.27541885, -0.00482887422, 6.1957946e-06, -3.040023782e-09, 4.91679003e-13 ), ( 915774.951, -2770.550211, 5.97353979, -0.000362981006, 4.73552919e-08, 2.810262054e-12, -6.656104219999999e-16 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'CrO2_g': ThermodynamicCoefficients( b1=(-12789.1284, -17433.39545), b2=(14.42954956, -10.0642472), cp_coeffs=( ( 35486.299, -229.8628537, 2.286289393, 0.01616929338, -2.34519891e-05, 1.631365714e-08, -4.44426962e-12 ), ( -432710.914, 191.5584657, 7.18824737, -0.000569484619, 3.54636613e-07, -5.65512306e-11, 2.908946349e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'CrO3_g': ThermodynamicCoefficients( b1=(-37697.024, -47238.802), b2=(0.865382728, -19.45305345), cp_coeffs=( ( 41830.2006, -505.934885, 4.43271567, 0.01995079387, -2.920597649e-05, 2.03933028e-08, -5.58008663e-12 ), ( -628331.401, 692.815818, 8.9712746, 0.000682336564, -2.235048825e-07, 3.36678579e-11, -1.614026492e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'CrO_g': ThermodynamicCoefficients( b1=(20909.48871, 44470.9821, 2738393.714), b2=(17.81935787, -29.42600453, -662.96417), cp_coeffs=( ( 9373.33411, 136.9743818, 1.621443428, 0.00881409596, -1.23284536e-05, 8.49796094e-09, -2.315804197e-12 ), ( 1092367.332, -3749.75865, 9.00787021, -0.002545445236, 6.92805168e-07, -6.39083195e-11, 1.6597416450000001e-15 ), ( 560019172.0, -340959.235, 79.714283, -0.00704590488, 3.3112562e-07, -8.19687743e-12, 8.48747981e-17 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'Cr_g': ThermodynamicCoefficients( b1=(47158.6664, -168899.344, 19553819.84), b2=(6.00542545, 286.4481267, -5133.51055), cp_coeffs=( ( 1335.658217, -21.02424026, 2.631908173, -0.000424626325, 7.43919416e-07, -6.76393163e-10, 2.507855625e-13 ), ( -11202207.89, 34011.6369, -36.5706217, 0.02110296902, -5.51818014e-06, 7.17360171e-10, -3.5051273670000005e-14 ), ( 3900886930.0, -2462918.543, 591.563264, -0.0669712164, 3.94695779e-06, -1.166504597e-10, 1.367279456e-15 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'Fe3O4_cd': ThermodynamicCoefficients( b1=(-124254.1349,), b2=(-110.9781572,), cp_coeffs=((0.0, 0.0, 24.15439996, 0.0, 0.0, 0.0, 0.0),), T_min=(1870.0,), T_max=(6000.0,) ), 'FeO_cd': ThermodynamicCoefficients( b1=(-34173.505, -32550.8065), b2=(-12.8475912, -39.95344357), cp_coeffs=( ( -11791.93966, 138.8393372, 2.999841854, 0.0127452721, -1.883886065e-05, 1.274258345e-08, -3.042206479e-12 ), (0.0, 0.0, 8.147077819, 0.0, 0.0, 0.0, 0.0) ), T_min=(298.15, 1652.0), T_max=(1652.0, 6000.0) ), 'FeO_g': ThermodynamicCoefficients( b1=(29645.72665, 30379.85806), b2=(13.26115545, -3.63365542), cp_coeffs=( ( 15692.82213, -64.6018888, 2.45892547, 0.00701604736, -1.021405947e-05, 7.17929787e-09, -1.978966365e-12 ), ( -119597.148, -362.486478, 5.51888075, -0.000997885689, 4.37691383e-07, -6.79062946e-11, 3.63929268e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'Fe_cd': ThermodynamicCoefficients( b1=(-1270.608703,), b2=(-29.48115042,), cp_coeffs=((0.0, 0.0, 5.535383324, 0.0, 0.0, 0.0, 0.0),), T_min=(1809.0,), T_max=(6000.0,) ), 'Fe_g': ThermodynamicCoefficients( b1=(54669.9594, 7137.37006, 4847648.29), b2=(-33.8394626, 65.0497986, -869.728977), cp_coeffs=( ( 67908.2266, -1197.218407, 9.84339331, -0.01652324828, 1.917939959e-05, -1.149825371e-08, 2.832773807e-12 ), ( -1954923.682, 6737.1611, -5.48641097, 0.00437880345, -1.116286672e-06, 1.544348856e-10, -8.023578182e-15 ), ( 1216352511.0, -582856.393, 97.8963451, -0.00537070443, 3.19203792e-08, 6.26767143e-12, -1.480574914e-16 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'H2O4S_cd': ThermodynamicCoefficients( b1=(-106899.7367,), b2=(-13.53966639,), cp_coeffs=( ( 77499.3385, 1040.538662, 4.43380491, 0.0364884548, -1.743440132e-05, 1.175631937e-08, -3.17009169e-12 ), ), T_min=(283.456,), T_max=(1000.0007,) ), 'H2O4S_g': ThermodynamicCoefficients( b1=(-93156.6012, -52590.9295), b2=(39.61096201, -102.3603724), cp_coeffs=( ( -41291.5005, 668.158989, -2.632753507, 0.0541538248, -7.06750223e-05, 4.68461142e-08, -1.236791238e-11 ), ( 1437877.914, -6614.90253, 21.57662058, -0.000480625597, 3.010775121e-08, 2.334842469e-12, -2.9463303749999996e-16 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'H2O_cd': ThermodynamicCoefficients( b1=(-55303.1499, 110176047.6, 81131768.8), b2=(-190.2572063, -977970.097, -513441.808), cp_coeffs=( ( -402677.748, 2747.887946, 57.3833663, -0.826791524, 0.00441308798, -1.054251164e-05, 9.69449597e-09 ), ( 1326371304.0, -24482953.88, 187942.8776, -767.899505, 1.761556813, -0.002151167128, 1.092570813e-06 ), ( 1263631001.0, -16803802.49, 92782.3479, -272.237395, 0.447924376, -0.000391939743, 1.425743266e-07 ) ), T_min=(200.0, 273.15, 373.15), T_max=(273.15, 373.15, 600.0) ), 'H2O_g': ThermodynamicCoefficients( b1=(-33039.7431, -13842.86509), b2=(17.24205775, -7.97814851), cp_coeffs=( ( -39479.6083, 575.573102, 0.931782653, 0.00722271286, -7.34255737e-06, 4.95504349e-09, -1.336933246e-12 ), ( 1034972.096, -2412.698562, 4.64611078, 0.002291998307, -6.83683048e-07, 9.42646893e-11, -4.82238053e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'H2S_g': ThermodynamicCoefficients( b1=(-3278.45728, 29086.96214), b2=(1.415194691, -43.49160391), cp_coeffs=( ( 9543.80881, -68.7517508, 4.05492196, -0.0003014557336, 3.76849775e-06, -2.239358925e-09, 3.086859108e-13 ), ( 1430040.22, -5284.02865, 10.16182124, -0.000970384996, 2.154003405e-07, -2.1696957e-11, 9.31816307e-16 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'H2_g': ThermodynamicCoefficients( b1=(2682.484665, 5339.82441, 2488433.516), b2=(-30.43788844, -2.202774769, -669.572811), cp_coeffs=( ( 40783.2321, -800.918604, 8.21470201, -0.01269714457, 1.753605076e-05, -1.20286027e-08, 3.36809349e-12 ), ( 560812.801, -837.150474, 2.975364532, 0.001252249124, -3.74071619e-07, 5.9366252e-11, -3.6069941e-15 ), ( 496688412.0, -314754.7149, 79.8412188, -0.00841478921, 4.75324835e-07, -1.371873492e-11, 1.6054617559999998e-16 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'H3N_g': ThermodynamicCoefficients( b1=(-12648.86413, 43861.9196), b2=(43.66014588, -64.62330602), cp_coeffs=( ( -76812.2615, 1270.951578, -3.89322913, 0.02145988418, -2.183766703e-05, 1.317385706e-08, -3.33232206e-12 ), ( 2452389.535, -8040.89424, 12.71346201, -0.000398018658, 3.55250275e-08, 2.53092357e-12, -3.3227005299999997e-16 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'H4Si_g': ThermodynamicCoefficients( b1=(6269.66906, 47668.8795), b2=(4.96546183, -98.0169746), cp_coeffs=( ( 78729.9329, -552.608705, 2.498944303, 0.01442118274, -8.46710731e-06, 2.726164641e-09, -5.43675437e-13 ), ( 1290378.74, -7813.39978, 18.28851664, -0.001975620946, 4.15650215e-07, -4.59674561e-11, 2.072777131e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'HO_g': ThermodynamicCoefficients( b1=(2991.214235, 20196.40206, 1468393.908), b2=(4.67411079, -11.01282337, -402.355558), cp_coeffs=( ( -1998.85899, 93.0013616, 3.050854229, 0.001529529288, -3.157890998e-06, 3.31544618e-09, -1.138762683e-12 ), ( 1017393.379, -2509.957276, 5.11654786, 0.000130529993, -8.28432226e-08, 2.006475941e-11, -1.556993656e-15 ), ( 284723419.3, -185953.2612, 50.082409, -0.00514237498, 2.875536589e-07, -8.22881796e-12, 9.56722902e-17 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'HS_g': ThermodynamicCoefficients( b1=(17429.02395, 48992.1449), b2=(-17.60761843, -37.70400275), cp_coeffs=( ( 6389.43468, -374.796092, 7.54814577, -0.01288875477, 1.907786343e-05, -1.265033728e-08, 3.23515869e-12 ), ( 1682631.601, -5177.15221, 9.19816852, -0.002323550224, 6.54391478e-07, -8.46847042e-11, 3.86474155e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'H_g': ThermodynamicCoefficients( b1=(25473.70801, 25474.86398, 1067638.086), b2=(-0.446682853, -0.448191777, -274.2301051), cp_coeffs=( (0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0), ( 60.7877425, -0.1819354417, 2.500211817, -1.226512864e-07, 3.73287633e-11, -5.68774456e-15, 3.4102101970000004e-19 ), ( 217375769.4, -131203.54033, 33.991742, -0.00381399968, 2.432854837e-07, -7.69427554e-12, 9.644105629999999e-17 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'He_g': ThermodynamicCoefficients( b1=(-745.375, -745.375, 16505.1896), b2=(0.928723974, 0.928723974, -4.04881439), cp_coeffs=( (0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0), (0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0), ( 3396845.42, -2194.037652, 3.080231878, -8.06895755e-05, 6.25278491e-09, -2.574990067e-13, 4.429960218e-18 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'K2O2_g': ThermodynamicCoefficients( b1=(-20571.5192, -25920.56324), b2=(-31.8119979, -21.62287184), cp_coeffs=( ( 48108.7061, -1003.601504, 11.54229002, -0.000454633252, -1.516606209e-06, 1.79942609e-09, -6.12833729e-13 ), ( -147607.3073, -102.193204, 10.07664713, -3.076517991e-05, 6.81525281e-09, -7.82865445e-13, 3.6325061e-17 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'K2O_g': ThermodynamicCoefficients( b1=(-8234.29168, -11072.22244), b2=(-16.63099064, -5.76871872), cp_coeffs=( ( 23920.44068, -544.535839, 8.82640323, -0.00348142943, 3.83454207e-06, -2.268494189e-09, 5.56921225e-13 ), ( -46114.6458, -13.63119524, 7.01053044, -4.32365826e-06, 9.74778842e-10, -1.135283694e-13, 5.3258606e-18 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'K2_g': ThermodynamicCoefficients( b1=(15334.02849, -422624.383), b2=(-9.1010358, 386.714251), cp_coeffs=( ( 15241.69293, -330.178936, 7.07079595, -0.00976707246, 2.021535863e-05, -1.886092452e-08, 6.11297464e-12 ), ( -27344707.45, 65621.8001, -44.7635044, 0.00893885915, 2.984557092e-06, -1.064158914e-09, 8.33493693e-14 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'KO_g': ThermodynamicCoefficients( b1=(8141.83538, 26049.72496), b2=(-4.02210152, -34.4878152), cp_coeffs=( ( 14625.62908, -338.476565, 5.71660764, -0.002363265083, 2.848716276e-06, -1.739858233e-09, 4.43100652e-13 ), ( 696010.338, -3304.83529, 10.05743444, -0.004331112, 1.747281632e-06, -3.012370548e-10, 1.79082787e-14 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'K_g': ThermodynamicCoefficients( b1=(9959.49349, -58753.3701, 5395082.19), b2=(5.03582226, 97.3855124, -1622.158805), cp_coeffs=( ( 9.66514393, -0.1458059455, 2.500865861, -2.601219276e-06, 4.18730658e-09, -3.43972211e-12, 1.131569009e-15 ), ( -3566422.36, 10852.89825, -10.54134898, 0.00800980135, -2.696681041e-06, 4.71529415e-10, -2.97689735e-14 ), ( 920578659.0, -693530.028, 191.1270788, -0.02305931672, 1.430294866e-06, -4.40933502e-11, 5.366769166e-16 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'Kr_g': ThermodynamicCoefficients( b1=(-745.375, -740.348894, -7111667.37), b2=(5.49095651, 5.48439815, 2086.866326), cp_coeffs=( (0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0), ( 264.3639057, -0.791005082, 2.500920585, -5.32816411e-07, 1.620730161e-10, -2.467898017e-14, 1.47858504e-18 ), ( -1375531087.0, 906403.053, -240.3481435, 0.0337831203, -2.563103877e-06, 9.96978779e-11, -1.5212496770000001e-15 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'Mg2O4Si_cd': ThermodynamicCoefficients( b1=(-266935.7683,), b2=(-134.6103798,), cp_coeffs=((0.0, 0.0, 24.65761662, 0.0, 0.0, 0.0, 0.0),), T_min=(2170.0,), T_max=(6000.0,) ), 'MgO3Si_cd': ThermodynamicCoefficients( b1=(-188021.0286,), b2=(-95.12270574,), cp_coeffs=((0.0, 0.0, 17.6125833, 0.0, 0.0, 0.0, 0.0),), T_min=(1850.0,), T_max=(6000.0,) ), 'MgO_cd': ThermodynamicCoefficients( b1=(-151629.0864, -74434.8272, -76093.7084), b2=(743.900969, -29.11564935, -60.76894048), cp_coeffs=( ( -898078.457, 17712.45421, -144.9325747, 0.63975911, -0.0014583468, 1.715467374e-06, -8.18348237e-10 ), ( -116952.1716, 0.0, 5.510366817, 0.001085932905, -4.866191754e-07, 1.253230798e-10, 0.0 ), (0.0, 0.0, 10.10282025, 0.0, 0.0, 0.0, 0.0) ), T_min=(200.0, 500.0, 3100.0), T_max=(500.0, 3100.0, 6000.0) ), 'MgO_g': ThermodynamicCoefficients( b1=(27906.79519, -230050.4434, 149021.8815), b2=(-162.4886199, 173.8984472, -80.0728173), cp_coeffs=( ( 351365.974, -5287.19716, 33.8206006, -0.0840048963, 0.000121001616, -7.63079502e-08, 1.701022862e-11 ), ( -15867383.67, 34204.681, -17.74087677, 0.00700496305, -1.104138249e-06, 8.95748853e-11, -3.052513649e-15 ), ( 2290059.05, -20734.99632, 14.44150005, -0.0014906099, 1.052119343e-07, -3.52303061e-12, 4.6131117599999995e-17 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'Mg_g': ThermodynamicCoefficients( b1=(16946.58761, 4829.18811, 8349525.9), b2=(3.63433014, 23.39104998, -1469.355261), cp_coeffs=( (0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0), ( -536483.155, 1973.709576, -0.36337769, 0.002071795561, -7.73805172e-07, 1.359277788e-10, -7.766898397e-15 ), ( 2166012586.0, -1008355.665, 161.9680021, -0.00879013035, -1.925690961e-08, 1.725045214e-11, -4.2349461119999994e-16 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'N2_g': ThermodynamicCoefficients( b1=(710.846086, 12832.10415, 4938707.04), b2=(-10.76003744, -15.86640027, -1672.09974), cp_coeffs=( ( 22103.71497, -381.846182, 6.08273836, -0.00853091441, 1.384646189e-05, -9.62579362e-09, 2.519705809e-12 ), ( 587712.406, -2239.249073, 6.06694922, -0.00061396855, 1.491806679e-07, -1.923105485e-11, 1.061954386e-15 ), ( 831013916.0, -642073.354, 202.0264635, -0.03065092046, 2.486903333e-06, -9.70595411e-11, 1.437538881e-15 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'N4Si3_cd': ThermodynamicCoefficients( b1=(-96400.3787, -99665.4174), b2=(-1.086768954, -64.12447976), cp_coeffs=( (-11364.34515, 0.0, -0.499343571, 0.0396231894, 0.0, 0.0, 0.0), ( -291045.4134, 0.0, 11.89210188, 0.009349799327, -2.551082385e-06, 2.857654871e-10, 0.0 ) ), T_min=(100.0, 298.15), T_max=(298.15, 4000.0) ), 'NH2_g': ThermodynamicCoefficients( b1=(19289.39662, 65037.7856), b2=(15.40126885, -53.59155744), cp_coeffs=( ( -31182.40659, 475.424339, 1.372395176, 0.00630642972, -5.98789356e-06, 4.49275234e-09, -1.414073548e-12 ), ( 2111053.74, -6880.62723, 11.32305924, -0.001829236741, 5.64389009e-07, -7.88645248e-11, 4.07859345e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'NH_g': ThermodynamicCoefficients( b1=(42809.7219, 78989.1234, 696143.427), b2=(-3.886561616, -41.169704, -222.9027419), cp_coeffs=( ( 13596.5132, -190.0296604, 4.51849679, -0.002432776899, 2.377587464e-06, -2.592797084e-10, -2.659680792e-13 ), ( 1958141.991, -5782.8613, 9.33574202, -0.002292910311, 6.07609248e-07, -6.64794275e-11, 2.384234783e-15 ), ( 95246367.9, -85858.2691, 29.80445181, -0.002979563697, 1.656334158e-07, -4.74479184e-12, 5.57014829e-17 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'NO_g': ThermodynamicCoefficients( b1=(9098.21441, 17503.17656, -4677501.24), b2=(6.72872549, -8.50166909, 1242.081216), cp_coeffs=( ( -11439.16503, 153.6467592, 3.43146873, -0.002668592368, 8.48139912e-06, -7.68511105e-09, 2.386797655e-12 ), ( 223901.8716, -1289.651623, 5.43393603, -0.00036560349, 9.88096645e-08, -1.416076856e-11, 9.38018462e-16 ), ( -957530354.0, 591243.448, -138.4566826, 0.01694339403, -1.007351096e-06, 2.912584076e-11, -3.29510935e-16 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'N_g': ThermodynamicCoefficients( b1=(56104.6378, 56973.5133, 2550585.618), b2=(4.193905036, 4.865231506, -584.8769753), cp_coeffs=( (0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0), ( 88765.0138, -107.12315, 2.362188287, 0.0002916720081, -1.7295151e-07, 4.01265788e-11, -2.677227571e-15 ), ( 547518105.0, -310757.498, 69.1678274, -0.00684798813, 3.8275724e-07, -1.098367709e-11, 1.2779860239999998e-16 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'Na2O2_g': ThermodynamicCoefficients( b1=(-10588.58918, -17803.00574), b2=(-40.2181178, -23.8678919), cp_coeffs=( ( 73824.5892, -1355.12534, 12.55579861, -0.002112046045, 4.92035352e-08, 1.003950603e-09, -4.44773207e-13 ), ( -173229.5239, -113.7561118, 10.08529143, -3.42209894e-05, 7.57772189e-09, -8.70125673e-13, 4.0360613899999995e-17 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'Na2O_g': ThermodynamicCoefficients( b1=(-459.307325, -4297.33965), b2=(-23.49565832, -10.63530214), cp_coeffs=( ( 39011.4929, -726.620789, 9.62371078, -0.00355641864, 3.47070435e-06, -1.835177736e-09, 4.06213471e-13 ), ( -66005.2516, -25.69021634, 7.51938542, -7.81163524e-06, 1.73501589e-09, -1.996634558e-13, 9.27643355e-18 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'Na2_g': ThermodynamicCoefficients( b1=(16491.70574, 409082.08), b2=(-2.653564394, -550.997089), cp_coeffs=( ( 6848.62868, -153.0836599, 5.32523039, -0.001944906088, 2.657477888e-06, -9.09684112e-10, -2.44875673e-13 ), ( 19299407.58, -62692.8012, 82.6768211, -0.0456513781, 1.259515667e-05, -1.560445735e-09, 7.02467717e-14 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'NaO_g': ThermodynamicCoefficients( b1=(13203.32678, 24132.39357), b2=(-4.99613115, -29.89159486), cp_coeffs=( ( 18577.48013, -337.149732, 5.64456002, -0.003136926368, 6.33077539e-06, -5.42946247e-09, 1.68718377e-12 ), ( 256974.4011, -2269.334161, 9.22439762, -0.0036512691, 1.446811119e-06, -2.443068386e-10, 1.428508328e-14 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'Na_g': ThermodynamicCoefficients( b1=(12183.82949, 29129.63564, 7748677.26), b2=(4.24402818, -15.19717061, -1939.615505), cp_coeffs=( (0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0), ( 952572.338, -2623.807254, 5.16259662, -0.001210218586, 2.306301844e-07, -1.249597843e-11, 7.226771189999999e-16 ), ( 1592533392.0, -971783.666, 223.8443963, -0.02380930558, 1.352018117e-06, -3.93697111e-11, 4.630689120999999e-16 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'Ne_g': ThermodynamicCoefficients( b1=(-745.375, -745.375, -56639.3363), b2=(3.35532272, 3.35532272, 16.48438697), cp_coeffs=( (0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0), (0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0), ( -12382527.46, 6958.57958, 1.016709287, 0.0001424664555, -4.80393393e-09, -1.170213183e-13, 8.415153652e-18 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'O2S_g': ThermodynamicCoefficients( b1=(-41137.5208, -33513.0869), b2=(40.45512519, -16.55776085), cp_coeffs=( ( -53108.4214, 909.031167, -2.356891244, 0.02204449885, -2.510781471e-05, 1.446300484e-08, -3.36907094e-12 ), ( -112764.0116, -825.226138, 7.61617863, -0.000199932761, 5.65563143e-08, -5.45431661e-12, 2.9182941019999996e-16 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'O2Si_cd': ThermodynamicCoefficients( b1=(-146239.8375, -111701.2474, -113432.6721, -114000.2976), b2=(184.2424399, -35.80751356, -49.98768383, -55.54279592), cp_coeffs=( ( -577689.55, 7214.66111, -31.45730294, 0.0741217715, -8.67007782e-06, -1.080461312e-07, 8.31632491e-11 ), (23176.35074, 0.0, 7.026511484, 0.001241925261, 0.0, 0.0, 0.0), ( -535641.9079, 0.0, 9.331036946, -0.0007306503931, 3.339944266e-07, 0.0, 0.0 ), (0.0, 0.0, 10.04268442, 0.0, 0.0, 0.0, 0.0) ), T_min=(200.0, 848.0, 1200.0, 1996.0), T_max=(848.0, 1200.0, 1996.0, 6000.0) ), 'O2Si_g': ThermodynamicCoefficients( b1=(-42264.8749, -37918.3477), b2=(22.95803206, -20.45285414), cp_coeffs=( ( -33629.4878, 473.407892, 0.2309770671, 0.01850230806, -2.242786671e-05, 1.364981554e-08, -3.35193503e-12 ), ( -146403.1193, -626.144106, 7.96456371, -0.0001854119096, 4.09521467e-08, -4.69720676e-12, 2.1780542799999998e-16 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'O2Ti_g': ThermodynamicCoefficients( b1=(-39122.4177, -32663.3675), b2=(24.08605889, -15.9153466), cp_coeffs=( ( -1710.545601, 272.1435528, 0.596137896, 0.01925463599, -2.665500165e-05, 1.811109197e-08, -4.87671047e-12 ), ( 154629.9764, -1046.25688, 7.78898583, -0.0001546805714, -7.05993595e-08, 3.100244802e-11, -2.49472543e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'O2_g': ThermodynamicCoefficients( b1=(-3391.45487, -16890.10929, 2293554.027), b2=(18.4969947, 17.38716506, -553.062161), cp_coeffs=( ( -34255.6342, 484.700097, 1.119010961, 0.00429388924, -6.83630052e-07, -2.0233727e-09, 1.039040018e-12 ), ( -1037939.022, 2344.830282, 1.819732036, 0.001267847582, -2.188067988e-07, 2.053719572e-11, -8.193467049999999e-16 ), ( 497529430.0, -286610.6874, 66.9035225, -0.00616995902, 3.016396027e-07, -7.4214166e-12, 7.278175769999999e-17 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'O3S_g': ThermodynamicCoefficients( b1=(-51841.0617, -43982.8399), b2=(33.91331216, -36.55217314), cp_coeffs=( ( -39528.5529, 620.857257, -1.437731716, 0.02764126467, -3.144958662e-05, 1.792798e-08, -4.12638666e-12 ), ( -216692.3781, -1301.022399, 10.96287985, -0.000383710002, 8.46688904e-08, -9.70539929e-12, 4.49839754e-16 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'O3_g': ThermodynamicCoefficients( b1=(13483.68701, -651791.818), b2=(38.5221858, 702.910952), cp_coeffs=( ( -12823.14507, 589.821664, -2.547496763, 0.02690121526, -3.52825834e-05, 2.312290922e-08, -6.04489327e-12 ), ( -38696624.8, 102334.4994, -89.615516, 0.0370614497, -4.13763874e-06, -2.725018591e-10, 5.2481881100000006e-14 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'OS_g': ThermodynamicCoefficients( b1=(-3371.29219, -27088.38059), b2=(30.93861963, 36.15358329), cp_coeffs=( ( -33427.57, 640.38625, -1.006641228, 0.01381512705, -1.704486364e-05, 1.06129493e-08, -2.645796205e-12 ), ( -1443410.557, 4113.87436, -0.538369578, 0.002794153269, -6.63335226e-07, 7.83822119e-11, -3.56050907e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'OSi_g': ThermodynamicCoefficients( b1=(-16665.85903, -13508.4236), b2=(33.557957, -0.838695733), cp_coeffs=( ( -47227.7105, 806.313764, -1.636976133, 0.01454275546, -1.723202046e-05, 1.04239734e-08, -2.559365273e-12 ), ( -1.7651341625, -31.9917709, 4.47744193, 4.59176471e-06, 3.55814315e-08, -1.327012559e-11, 1.613253297e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'OTi_g': ThermodynamicCoefficients( b1=(2924.306353, 51448.4136, 839915.607), b2=(27.02903947, -57.9399424, -203.0813444), cp_coeffs=( ( -11681.5246, 454.256565, -0.1139144613, 0.01275432333, -1.727656935e-05, 1.187369403e-08, -3.23657937e-12 ), ( 2330644.03, -7415.79386, 12.81799311, -0.00434455595, 1.186303111e-06, -1.367644275e-10, 5.70321225e-15 ), ( 166028814.7, -105185.3502, 27.49141313, -0.001681501753, 4.88407837e-08, -4.72138975e-13, -2.405919722e-18 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'O_g': ThermodynamicCoefficients( b1=(28403.62437, 33924.2806, 889094.263), b2=(8.40424182, -0.667958535, -218.1728151), cp_coeffs=( ( -7953.6113, 160.7177787, 1.966226438, 0.00101367031, -1.110415423e-06, 6.5175075e-10, -1.584779251e-13 ), ( 261902.0262, -729.872203, 3.31717727, -0.000428133436, 1.036104594e-07, -9.43830433e-12, 2.725038297e-16 ), ( 177900426.4, -108232.8257, 28.10778365, -0.002975232262, 1.854997534e-07, -5.79623154e-12, 7.191720163999999e-17 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'S2_g': ThermodynamicCoefficients( b1=(16547.67715, 10855.08427), b2=(-0.7957279032, 14.58544515), cp_coeffs=( ( 35280.9178, -422.215658, 4.67743349, 0.001724046361, -3.86220821e-06, 3.33615634e-09, -9.93066154e-13 ), ( -15881.28788, 631.548088, 2.449628069, 0.001986240565, -6.50792724e-07, 1.002813651e-10, -5.59699005e-15 ) ), T_min=(200.0, 1000.0), T_max=(1000.0, 6000.0) ), 'S_cd': ThermodynamicCoefficients( b1=( -751.638958, -685.271473, -635659.492, -983222.268, -26388.46929, 11130.1344, -828.458983 ), b2=( -7.96106698, -8.60784675, -11869.29589, -31548.06751, -768.1730097, 136.3174183, -17.36128237 ), cp_coeffs=( (-10357.10779, 0.0, 1.866766938, 0.00425614025, -3.26525227e-06, 0.0, 0.0), (0.0, 0.0, 2.080514131, 0.002440879557, 0.0, 0.0, 0.0), (-63665507.65, 0.0, 2376.860693, -7.888076026, 0.007376076522, 0.0, 0.0), (0.0, 0.0, 6928.522306, -32.54655981, 0.03824448176, 0.0, 0.0), (0.0, 0.0, 164.9945697, -0.6843534977, 0.0007315907973, 0.0, 0.0), (1972984.578, 0.0, -24.41009753, 0.06090352889, -3.744069103e-05, 0.0, 0.0), (0.0, 0.0, 3.848693429, 0.0, 0.0, 0.0, 0.0) ), T_min=(200.0, 368.3, 388.36, 428.15, 432.25, 453.15, 717.0), T_max=(368.3, 388.36, 428.15, 432.25, 453.15, 717.0, 6000.0) ), 'Si_cd': ThermodynamicCoefficients( b1=(-785.063521, -1042.947234, 4882.66711), b2=(-10.38427318, -14.38964187, -13.26611073), cp_coeffs=( (-23235.38208, 0.0, 2.10202168, 0.001809220552, 0.0, 0.0, 0.0), (-52325.5974, 0.0, 2.850169415, 0.000397516697, 0.0, 0.0, 0.0), (0.0, 0.0, 3.271389414, 0.0, 0.0, 0.0, 0.0) ), T_min=(200.0, 298.15, 1690.0), T_max=(298.15, 1690.0, 6000.0) ), 'Si_g': ThermodynamicCoefficients( b1=(52635.1031, 39535.5876, -4293792.12), b2=(9.69828888, 26.79668061, 1086.382839), cp_coeffs=( ( 98.3614081, 154.6544523, 1.87643667, 0.001320637995, -1.529720059e-06, 8.95056277e-10, -1.95287349e-13 ), ( -616929.885, 2240.683927, -0.444861932, 0.001710056321, -4.10771416e-07, 4.55888478e-11, -1.889515353e-15 ), ( -928654894.0, 544398.989, -120.6739736, 0.01359662698, -7.60649866e-07, 2.149746065e-11, -2.4741167739999995e-16 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'Ti_g': ThermodynamicCoefficients( b1=(52709.4793, 49780.6991, 5772614.54), b2=(20.26149738, 17.40431368, -1518.080466), cp_coeffs=( ( -45701.794, 660.809202, 0.429525749, 0.00361502991, -3.54979281e-06, 1.759952494e-09, -3.052720871e-13 ), ( -170478.6714, 1073.852803, 1.181955014, 0.0002245246352, 3.091697848e-07, -5.74002728e-11, 2.927371014e-15 ), ( 1152797766.0, -722240.838, 177.7167465, -0.02008059096, 1.221052354e-06, -3.81145208e-11, 4.798092422999999e-16 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) ), 'Xe_g': ThermodynamicCoefficients( b1=(-745.375, -668.580073, 928544.383), b2=(6.164454205, 6.063710715, -110.9834556), cp_coeffs=( (0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0), ( 4025.22668, -12.09507521, 2.514153347, -8.24810208e-06, 2.530232618e-09, -3.89233323e-13, 2.360439138e-17 ), ( 254039745.6, -110537.3774, 13.82644099, 0.001500614606, -3.93535903e-07, 2.765790584e-11, -5.943990574e-16 ) ), T_min=(200.0, 1000.0, 6000.0), T_max=(1000.0, 6000.0, 20000.0) )}

Thermodynamic coefficients dictionary

atmodeller.thermodata.core.critical_data_source: CriticalDataSource = CriticalDataSource(data= name Tc Pc 0 Ar 151.000 48.6000 1 CH4 191.050 46.4069 2 CHN 456.700 53.9000 3 CO 133.150 34.9571 4 CO2 304.150 73.8659 5 COS 377.550 65.8612 6 H3N 405.500 113.5000 7 H2S 373.550 90.0779 8 H4Si 269.700 48.4000 9 H2 33.250 12.9696 10 H2_Holland 41.200 21.1000 11 H2O 647.250 221.1925 12 He 5.200 2.2740 13 N2 126.200 33.9000 14 Ne 44.490 26.8000 15 O2 154.750 50.7638 16 O2S 430.950 78.7295 17 OSi 3431.000 4544.0000 18 Kr 209.460 55.2019 19 S2 208.150 72.9540 20 Xe 289.765 5.8415)

Critical data source

atmodeller.thermodata.core.critical_data_dictionary: dict[str, CriticalData] = {'Ar': CriticalData(temperature=151.0, pressure=48.6), 'CH4': CriticalData(temperature=191.05, pressure=46.4069), 'CHN': CriticalData(temperature=456.7, pressure=53.9), 'CO': CriticalData(temperature=133.15, pressure=34.9571), 'CO2': CriticalData(temperature=304.15, pressure=73.8659), 'COS': CriticalData(temperature=377.55, pressure=65.8612), 'H2': CriticalData(temperature=33.25, pressure=12.9696), 'H2O': CriticalData(temperature=647.25, pressure=221.1925), 'H2S': CriticalData(temperature=373.55, pressure=90.0779), 'H2_Holland': CriticalData(temperature=41.2, pressure=21.1), 'H3N': CriticalData(temperature=405.5, pressure=113.5), 'H4Si': CriticalData(temperature=269.7, pressure=48.4), 'He': CriticalData(temperature=5.2, pressure=2.274), 'Kr': CriticalData(temperature=209.46, pressure=55.2019), 'N2': CriticalData(temperature=126.2, pressure=33.9), 'Ne': CriticalData(temperature=44.49, pressure=26.8), 'O2': CriticalData(temperature=154.75, pressure=50.7638), 'O2S': CriticalData(temperature=430.95, pressure=78.7295), 'OSi': CriticalData(temperature=3431.0, pressure=4544.0), 'S2': CriticalData(temperature=208.15, pressure=72.954), 'Xe': CriticalData(temperature=289.765, pressure=5.8415)}

Critical data dictionary

class atmodeller.thermodata.core.ChemicalSpeciesData(formula: str, state: str)

Bases: Module

Individual species data

Parameters:

formula – Formula
state – State of aggregation as defined by JANAF

_abc_impl = <_abc._abc_data object>

formula: str: Formula

state: str: State of aggregation

composition: ImmutableMap[str, tuple[int, float, float]]: Composition

hill_formula: str: Hill formula

molar_mass: float: Molar mass

thermo: ThermodynamicCoefficients: Thermodynamic coefficient and methods

property elements: tuple[str, ...]: Elements

property name: str: Unique name by combining Hill notation and state of aggregation

Gets Gibbs energy over RT

Parameters:: temperature – Temperature in K
Returns:: Gibbs energy over RT

Module contents

Thermodata package level variables