lib.gerg module

class lib.gerg.GERG(**kwargs)

Bases: object

Multiparameter equation of state GERG 2008 ref http://dx.doi.org/10.1021/je300655b

Attributes:

calculable

Check input available to decide if is enough to solve state

Methods

__call__(**kwargs)	Call self as a function.
calculo()	Calculate procedure
flash()	Calculate liquid-vapour phase equilibrium

fug

componentes = [<class 'lib.mEoS.CH4.CH4'>, <class 'lib.mEoS.N2.N2'>, <class 'lib.mEoS.CO2.CO2'>, <class 'lib.mEoS.C2.C2'>, <class 'lib.mEoS.C3.C3'>, <class 'lib.mEoS.nC4.nC4'>, <class 'lib.mEoS.iC4.iC4'>, <class 'lib.mEoS.nC5.nC5'>, <class 'lib.mEoS.iC5.iC5'>, <class 'lib.mEoS.nC6.nC6'>, <class 'lib.mEoS.nC7.nC7'>, <class 'lib.mEoS.nC8.nC8'>, <class 'lib.mEoS.H2.H2'>, <class 'lib.mEoS.O2.O2'>, <class 'lib.mEoS.CO.CO'>, <class 'lib.mEoS.H2O.H2O'>, <class 'lib.mEoS.He.He'>, <class 'lib.mEoS.Ar.Ar'>, <class 'lib.mEoS.H2S.H2S'>, <class 'lib.mEoS.nC9.nC9'>, <class 'lib.mEoS.nC10.nC10'>]

fname_Fij = '/home/docs/checkouts/readthedocs.org/user_builds/pychemqt/checkouts/latest/dat/mEoS_Fij.json'

Fij = [[0, 1, 1, 1, 1, 1, 0.771035405688, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], [1, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [1, 1, 0, 0, 0.13042476515, 0.281570073085, 0.260632376098, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [1, 0, 0, 0.13042476515, 0, 0.0312572600489, -0.0551609771024, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [1, 0, 0, 0.281570073085, 0.0312572600489, 0, -0.0551240293009, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [0.771035405688, 0, 0, 0.260632376098, -0.0551609771024, -0.0551240293009, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]]

fname_Prop = '/home/docs/checkouts/readthedocs.org/user_builds/pychemqt/checkouts/latest/dat/mEoS_Tc.json'

Prop_c = {'beta_t': [[0, 0.99809883, 1.02262449, 0.996336508, 0.989680305, 0.99417491, 0.980315756, 0.992127525, 1.0, 0.981844797, 0.977431529, 0.957473785, 1.0, 1.0, 0.987411732, 1.063333913, 1.0, 0.990954281, 1.011090031, 0.947716769, 0.937777823], [0, 0, 1.005894529, 1.007671428, 1.002677329, 0.994515234, 0.99286813, 1.0, 1.0, 1.0, 1.0, 1.0, 0.946134337, 0.997190589, 1.0, 1.0, 0.692868765, 0.999069843, 1.004692366, 0.95637945, 0.957934447], [0, 0, 0, 1.013871147, 1.033620538, 1.018171004, 1.023339824, 1.027000795, 1.019180957, 1.0, 1.011806317, 1.02969078, 0.942320195, 1.0, 1.0, 0.997372205, 0.76837763, 0.996512863, 1.016034583, 1.00768862, 1.02002879], [0, 0, 0, 0, 0.996199694, 0.999130554, 1.0, 0.998688946, 1.0, 1.0, 1.0, 0.984068272, 0.932969831, 1.0, 1.0, 1.0, 1.0, 1.0, 0.990197354, 1.0, 0.970918061], [0, 0, 0, 0, 0, 1.000310289, 0.998012298, 0.996484021, 0.994364425, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 0.992573556, 1.0, 0.985331233], [0, 0, 0, 0, 0, 0, 1.000077547, 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1.0, 0.988591117, 1.047298475, 1.060243344], [0, 0, 0, 0, 0, 0, 0, 0, 1.000024352, 1.002480637, 1.008972412, 1.069223964, 1.188334783, 1.0, 1.119954454, 0.95667731, 1.0, 1.0, 1.076539234, 1.034910633, 1.016370338], [0, 0, 0, 0, 0, 0, 0, 0, 0, 1.002996055, 1.009928531, 1.017880981, 1.184339122, 1.0, 1.116693501, 1.0, 1.0, 1.0, 0.835763343, 1.028994325, 1.039372957], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1.001508227, 1.006268954, 1.243461678, 1.0, 1.155145836, 1.170217596, 1.0, 1.0, 1.339283552, 1.02076168, 1.013511439], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1.006767176, 1.159131722, 1.0, 1.190354273, 1.0, 1.0, 1.0, 1.087956749, 1.001370076, 1.002972346], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1.305249405, 1.0, 1.219206702, 0.599484191, 1.0, 1.0, 1.0, 1.001357085, 1.002553544], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1.0, 1.121416201, 1.0, 1.0, 1.0, 1.0, 1.342647661, 1.120233729], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1.0, 1.143174289, 1.0, 0.993907223, 1.0, 1.0, 1.120233729], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1.0, 1.0, 1.159720623, 1.101731308, 1.252151449, 0.87018496], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1.0, 1.038993495, 1.014832832, 1.0, 0.551405318], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1.0, 1.0, 1.0, 1.0], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1.0, 1.0, 1.0], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1.082905109, 1.171714677], [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1.00081052]]}

fir_ij = {'0-1': {'b2': [1, 1, 2.5, 3, 3, 3, 3], 'd1': [1, 4], 'd2': [1, 2, 2, 2, 2, 2, 3], 'e2': [0.5, 0.5, 0.5, 0.5, 0.5, 0.5, 0.5], 'g2': [0.5, 0.5, 0.5, 0.5, 0.5, 0.5, 0.5], 'n2': [1, 1, 0.25, 0, 0, 0, 0], 'nr1': [-0.0098038985517335, 0.00042487270143005], 'nr2': [-0.034800214576142, -0.13333813013896, -0.011993694974627, 0.069243379775168, -0.31022508148249, 0.24495491753226, 0.22369816716981], 't1': [0.0, 1.85], 't2': [7.85, 5.4, 0.0, 0.75, 2.8, 4.45, 4.25]}, '0-12': {'d1': [1, 3, 3, 4], 'nr1': [-0.25157134971934, -0.0062203841111983, 0.088850315184396, -0.035592212573239], 'nr2': [], 't1': [2, -1, 1.75, 1.4]}, '0-2': {'b2': [1, 2, 3], 'd1': [1, 2, 3], 'd2': [1, 2, 3], 'e2': [0.5, 0.5, 0.5], 'g2': [0.5, 0.5, 0.5], 'n2': [1, 0.5, 0], 'nr1': [-0.10859387354942, 0.080228576727389, -0.0093303985115717], 'nr2': [0.040989274005848, -0.24338019772494, 0.23855347281124], 't1': [2.6, 1.95, 0], 't2': [3.95, 7.95, 8]}, '0-3': {'b2': [1, 1, 1, 1.25, 1.5, 2, 3, 3, 3, 3], 'd1': [3, 4], 'd2': [1, 2, 2, 2, 2, 2, 2, 3, 3, 3], 'e2': [0.5, 0.5, 0.5, 0.5, 0.5, 0.5, 0.5, 0.5, 0.5, 0.5], 'g2': [0.5, 0.5, 0.5, 0.5, 0.5, 0.5, 0.5, 0.5, 0.5, 0.5], 'n2': [1, 1, 1, 0.875, 0.75, 0.5, 0, 0, 0, 0], 'nr1': [-0.00080926050298746, -0.00075381925080059], 'nr2': [-0.041618768891219, -0.23452173681569, 0.14003840584586, 0.063281744807738, -0.034660425848809, -0.23918747334251, 0.0019855255066891, 6.1777746171555, -6.9575358271105, 1.0630185306388], 't1': [0.65, 1.55], 't2': [3.1, 5.9, 7.05, 3.35, 1.2, 5.8, 2.7, 0.45, 0.55, 1.95]}, '0-4': {'b2': [0.75, 1, 2, 3], 'd1': [3, 3, 4, 4, 4], 'd2': [1, 1, 1, 2], 'e2': [0.5, 0.5, 0.5, 0.5], 'g2': [0.5, 0.5, 0.5, 0.5], 'n2': [0.25, 0.25, 0, 0], 'nr1': [0.013746429958576, -0.0074425012129552, -0.0045516600213685, -0.0054546603350237, 0.0023682016824471], 'nr2': [0.18007763721438, -0.44773942932486, 0.0193273748882, -0.30632197804624], 't1': [1.85, 3.95, 0, 1.85, 3.85], 't2': [5.25, 3.85, 0.2, 6.5]}, '0-5': {'d1': [1, 1, 1, 2, 2, 3, 3, 4, 4, 4], 'nr1': [2.5574776844118, -7.9846357136353, 4.7859131465806, -0.73265392369587, 1.3805471345312, 0.28349603476365, -0.49087385940425, -0.10291888921447, 0.11836314681968, 5.5527385721943e-05], 'nr2': [], 't1': [1.0, 1.55, 1.7, 0.25, 1.35, 0.0, 1.25, 0.0, 0.7, 5.4]}, '0-6': {'d1': [1, 1, 1, 2, 2, 3, 3, 4, 4, 4], 'nr1': [2.5574776844118, -7.9846357136353, 4.7859131465806, -0.73265392369587, 1.3805471345312, 0.28349603476365, -0.49087385940425, -0.10291888921447, 0.11836314681968, 5.5527385721943e-05], 'nr2': [], 't1': [1.0, 1.55, 1.7, 0.25, 1.35, 0.0, 1.25, 0.0, 0.7, 5.4]}, '1-2': {'b2': [0.75, 1.0, 2.0, 3.0], 'd1': [2, 3], 'd2': [1, 1, 1, 2], 'e2': [0.5, 0.5, 0.5, 0.5], 'g2': [0.5, 0.5, 0.5, 0.5], 'n2': [0.25, 0.25, 0, 0], 'nr1': [0.28661625028399, -0.10919833861247], 'nr2': [-1.137403208227, 0.76580544237358, 0.0042638000926819, 0.17673538204534], 't1': [1.85, 1.4], 't2': [3.2, 2.5, 8, 3.75]}, '1-3': {'b2': [1, 1, 1.25], 'd1': [2, 2, 3], 'd2': [1, 2, 2], 'e2': [0.5, 0.5, 0.5], 'g2': [0.5, 0.5, 0.5], 'n2': [1, 1, 0.875], 'nr1': [-0.47376518126608, 0.48961193461001, -0.0057011062090535], 'nr2': [-0.1996682004132, -0.69411103101723, 0.69226192739021], 't1': [0, 0.05, 0], 't2': [3.65, 4.9, 4.45]}, '3-4': {'d1': [1, 1, 1, 2, 2, 3, 3, 4, 4, 4], 'nr1': [2.5574776844118, -7.9846357136353, 4.7859131465806, -0.73265392369587, 1.3805471345312, 0.28349603476365, -0.49087385940425, -0.10291888921447, 0.11836314681968, 5.5527385721943e-05], 'nr2': [], 't1': [1.0, 1.55, 1.7, 0.25, 1.35, 0.0, 1.25, 0.0, 0.7, 5.4]}, '3-5': {'d1': [1, 1, 1, 2, 2, 3, 3, 4, 4, 4], 'nr1': [2.5574776844118, -7.9846357136353, 4.7859131465806, -0.73265392369587, 1.3805471345312, 0.28349603476365, -0.49087385940425, -0.10291888921447, 0.11836314681968, 5.5527385721943e-05], 'nr2': [], 't1': [1.0, 1.55, 1.7, 0.25, 1.35, 0.0, 1.25, 0.0, 0.7, 5.4]}, '3-6': {'d1': [1, 1, 1, 2, 2, 3, 3, 4, 4, 4], 'nr1': [2.5574776844118, -7.9846357136353, 4.7859131465806, -0.73265392369587, 1.3805471345312, 0.28349603476365, -0.49087385940425, -0.10291888921447, 0.11836314681968, 5.5527385721943e-05], 'nr2': [], 't1': [1.0, 1.55, 1.7, 0.25, 1.35, 0.0, 1.25, 0.0, 0.7, 5.4]}, '4-5': {'d1': [1, 1, 1, 2, 2, 3, 3, 4, 4, 4], 'nr1': [2.5574776844118, -7.9846357136353, 4.7859131465806, -0.73265392369587, 1.3805471345312, 0.28349603476365, -0.49087385940425, -0.10291888921447, 0.11836314681968, 5.5527385721943e-05], 'nr2': [], 't1': [1.0, 1.55, 1.7, 0.25, 1.35, 0.0, 1.25, 0.0, 0.7, 5.4]}, '4-6': {'d1': [1, 1, 1, 2, 2, 3, 3, 4, 4, 4], 'nr1': [2.5574776844118, -7.9846357136353, 4.7859131465806, -0.73265392369587, 1.3805471345312, 0.28349603476365, -0.49087385940425, -0.10291888921447, 0.11836314681968, 5.5527385721943e-05], 'nr2': [], 't1': [1.0, 1.55, 1.7, 0.25, 1.35, 0.0, 1.25, 0.0, 0.7, 5.4]}, '5-6': {'d1': [1, 1, 1, 2, 2, 3, 3, 4, 4, 4], 'nr1': [2.5574776844118, -7.9846357136353, 4.7859131465806, -0.73265392369587, 1.3805471345312, 0.28349603476365, -0.49087385940425, -0.10291888921447, 0.11836314681968, 5.5527385721943e-05], 'nr2': [], 't1': [1.0, 1.55, 1.7, 0.25, 1.35, 0.0, 1.25, 0.0, 0.7, 5.4]}}

__init__(**kwargs)

Constructor

To define it need specified composition:

-componente: array with index of fluids -fraccion: molar fraction

It need to specified state define two properties from this:

-T: temperature, K -rho: density, kg/m3 -P: pressure, Pa -v: specific volume, m3/kg -h: enthalpy, J/kg -s: entropy, J/kgK -u: internal energy, J/kg -x: quality

kwargs = {'P': 0.0, 'T': 0.0, 'componente': [], 'fraccion': [], 'h': None, 'mezcla': None, 'rho': 0.0, 's': None, 'u': None, 'v': 0.0, 'x': None}

property calculable

Check input available to decide if is enough to solve state

calculo()

Calculate procedure

fug(rho, T, nfirni=None)

_eq(rho, T)

_solve(rho, T)

_phi0(tau, delta)

Ideal contribution to dimensionless Helmholtz free energy α and their derivatives

_phir(tau, delta)

Residual contribution to dimensionless Helmholtz free energy α and their derivatives

_phijr(i, j, tau, delta)

flash()

Calculate liquid-vapour phase equilibrium

file = <_io.TextIOWrapper name='/home/docs/checkouts/readthedocs.org/user_builds/pychemqt/checkouts/latest/dat/mEoS_Tc.json' mode='r' encoding='utf-8'>

References

[1]

Kunz, O., Klimeck, R., Wagner, W., Jaeschke, M.; The GERG-2004 Wide-Range Equation of State for Natural Gases and Other Mixtures. GERG TM15 2007

[2]

Kunz, O., Wagner, W.; The GERG-2008 Wide-Range Equation of State for Natural Gases and Other Mixtures: An Expansion of GERG-2004. J. Chem.Eng. Data 57(11) (2012) 3032-3091