Chromatography Object¶

You can define a Chromatography object by providing a tabulated data indexed by pressure.

In [1]:

from pvtpy.compositional import Chromatography, properties_df, Component
from pvtpy.units import Pressure, Temperature
import numpy as np
import pandas as pd

from pvtpy.compositional import Chromatography, properties_df, Component from pvtpy.units import Pressure, Temperature import numpy as np import pandas as pd

Pvtpy has built-in a dataframe with 64 components and its critical values. You can display the properties values with the properties_df object which is a simple dataframe.

In [2]:

print(properties_df.tail(20))

print(properties_df.tail(20))

               id                    iupac_key  \
name                                             
ammonia        53  QGZKDVFQNNGYKY-UHFFFAOYSA-N   
hydrogen       54  UFHFLCQGNIYNRP-UHFFFAOYSA-N   
oxygen         55  MYMOFIZGZYHOMD-UHFFFAOYSA-N   
nitrogen       56  IJGRMHOSHXDMSA-UHFFFAOYSA-N   
chlorine       57  KZBUYRJDOAKODT-UHFFFAOYSA-N   
water          58  XLYOFNOQVPJJNP-UHFFFAOYSA-N   
n-undecane     59  RSJKGSCJYJTIGS-UHFFFAOYSA-N   
n-dodecane     60  SNRUBQQJIBEYMU-UHFFFAOYSA-N   
n-tridecane    61  IIYFAKIEWZDVMP-UHFFFAOYSA-N   
n-tetradecane  62  BGHCVCJVXZWKCC-UHFFFAOYSA-N   
n-pentadecane  63  YCOZIPAWZNQLMR-UHFFFAOYSA-N   
n-hexadecane   64  DCAYPVUWAIABOU-UHFFFAOYSA-N   
n-heptadecane  65  NDJKXXJCMXVBJW-UHFFFAOYSA-N   
n-octadecane   66  RZJRJXONCZWCBN-UHFFFAOYSA-N   
n-nonadecane   67  LQERIDTXQFOHKA-UHFFFAOYSA-N   
n-eicosane     68  CBFCDTFDPHXCNY-UHFFFAOYSA-N   
n-heneicosane  69  FNAZRRHPUDJQCJ-UHFFFAOYSA-N   
n-docosane     70  HOWGUJZVBDQJKV-UHFFFAOYSA-N   
n-tricosane    71  FIGVVZUWCLSUEI-UHFFFAOYSA-N   
n-tetracosane  72  POOSGDOYLQNASK-UHFFFAOYSA-N   

                                                           iupac        cas  \
name                                                                          
ammonia                                              1S/H3N/h1H3  7664-41-7   
hydrogen                                               1S/H2/h1H  1333-74-0   
oxygen                                                1S/O2/c1-2  7782-44-7   
nitrogen                                              1S/N2/c1-2  7727-37-9   
chlorine                                             1S/Cl2/c1-2  7782-50-5   
water                                                1S/H2O/h1H2  7732-18-5   
n-undecane      1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2;1-2H3  1120-21-4   
n-dodecane     1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2;...   112-40-3   
n-tridecane    1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13...   629-50-5   
n-tetradecane  1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3...   629-59-4   
n-pentadecane  1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2...   629-62-9   
n-hexadecane   1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-...   544-76-3   
n-heptadecane  1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8...   629-78-7   
n-octadecane   1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-1...   593-45-3   
n-nonadecane   1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-1...   629-92-5   
n-eicosane     1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-1...   112-95-8   
n-heneicosane  1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-1...   629-94-7   
n-docosane     1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-1...   629-97-0   
n-tricosane    1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-2...   638-67-5   
n-tetracosane  1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-2...   646-31-1   

               acentric_factor formula  molecular_weight  critical_pressure  \
name                                                                          
ammonia                    NaN     NH3           17.0305             1646.0   
hydrogen               -0.2150      H2            2.0159              188.1   
oxygen                  0.0218      O2           31.9988              731.4   
nitrogen                0.0403      N2           28.0134              493.1   
chlorine                   NaN     CL2           70.9060             1157.0   
water                   0.3449     H2O           18.0153             3198.8   
n-undecane              0.5303  C11H24          146.3120             1949.0   
n-dodecane              0.5764  C12H26          170.3380             1820.0   
n-tridecane             0.6174  C13H28          184.3650             1680.0   
n-tetradecane           0.6430  C14H30          198.3920             1570.0   
n-pentadecane           0.6863  C15H32          212.4190             1480.0   
n-hexadecane            0.7174  C16H34          226.4460             1400.0   
n-heptadecane           0.7697  C17H36          240.4730             1340.0   
n-octadecane            0.8114  C18H38          254.5000             1270.0   
n-nonadecane            0.8522  C19H40          268.5270             1210.0   
n-eicosane              0.9069  C20H42          282.5530             1160.0   
n-heneicosane           0.9220  C21H44          296.5800             1147.0   
n-docosane              0.9550  C22H46          310.6100             1101.0   
n-tricosane             0.9890  C23H48          324.6300             1059.0   
n-tetracosane           1.0190  C24H50          338.6800             1019.0   

              critical_pressure_unit  critical_temperature  \
name                                                         
ammonia                          psi                270.20   
hydrogen                         psi               -399.90   
oxygen                           psi               -181.43   
nitrogen                         psi               -232.51   
chlorine                         psi                290.75   
water                            psi                705.16   
n-undecane                       kpa                639.00   
n-dodecane                       kpa                658.00   
n-tridecane                      kpa                675.00   
n-tetradecane                    kpa                693.00   
n-pentadecane                    kpa                708.00   
n-hexadecane                     kpa                723.00   
n-heptadecane                    kpa                736.00   
n-octadecane                     kpa                747.00   
n-nonadecane                     kpa                758.00   
n-eicosane                       kpa                768.00   
n-heneicosane                    kpa                781.70   
n-docosane                       kpa                791.80   
n-tricosane                      kpa                801.30   
n-tetracosane                    kpa                810.40   

              critical_temperature_unit  antoine_a  antoine_b  antoine_c  
name                                                                      
ammonia                       farenheit   4.868860    113.928    -10.409  
hydrogen                      farenheit   3.543140     99.395      7.726  
oxygen                        farenheit   3.952300    340.024     -4.144  
nitrogen                      farenheit   3.736200    264.651     -6.788  
chlorine                      farenheit   4.288140    969.992    -12.791  
water                         farenheit   5.402210   1838.675    -31.737  
n-undecane                       kelvin   4.101640   1572.477    -85.128  
n-dodecane                       kelvin   4.105490   1625.928    -92.839  
n-tridecane                      kelvin   4.128290   1689.093    -98.866  
n-tetradecane                    kelvin   4.137350   1739.623   -105.616  
n-pentadecane                    kelvin   4.149350   1789.658   -111.859  
n-hexadecane                     kelvin   4.173120   1845.672   -117.054  
n-heptadecane                    kelvin   3.927300   1718.004   -138.126  
n-octadecane                     kelvin   4.332090   2068.963   -111.927  
n-nonadecane                     kelvin  30.428160  28197.488    452.785  
n-eicosane                       kelvin        NaN        NaN        NaN  
n-heneicosane                    kelvin   5.920730   3571.218    -19.953  
n-docosane                       kelvin        NaN        NaN        NaN  
n-tricosane                      kelvin   6.557006   4200.069      1.864  
n-tetracosane                    kelvin   5.738300   3464.273    -55.121  

Having the properties table, you can build a custom Chromatography table by providing the componets id, name or symbol and the mole fraction

Construct by its name

In [3]:

d = {
    'comp': ['methane','ethane','propane','isobutane'],
    'mole_fraction':[0.90,0.07,0.02,0.06]
}
cc = pd.DataFrame(d)

ch = Chromatography()
ch.from_df(cc,name='comp')

d = { 'comp': ['methane','ethane','propane','isobutane'], 'mole_fraction':[0.90,0.07,0.02,0.06] } cc = pd.DataFrame(d) ch = Chromatography() ch.from_df(cc,name='comp')

In [4]:

ch.df()

ch.df()

Out[4]:

	acentric_factor	cas	critical_pressure	critical_temperature	formula	id	iupac	iupac_key	mole_fraction	molecular_weight	peng_robinson	redlich_kwong	soave_redlich_kwong	van_der_walls
methane	0.0115	74-82-8	666.4	-116.67	CH4	1.0	1S/CH4/h1H4	VNWKTOKETHGBQD-UHFFFAOYSA-N	0.857143	16.0425	{}	{}	{}	{}
ethane	0.0995	74-84-0	706.5	89.92	C2H6	2.0	1S/C2H6/c1-2/h1-2H3	OTMSDBZUPAUEDD-UHFFFAOYSA-N	0.066667	30.0700	{}	{}	{}	{}
propane	0.1523	74-98-6	616.0	206.06	C3H8	3.0	1S/C3H8/c1-3-2/h3H2;1-2H3	ATUOYWHBWRKTHZ-UHFFFAOYSA-N	0.019048	44.0970	{}	{}	{}	{}
isobutane	0.1770	75-28-5	527.9	274.46	C4H10	4.0	1S/C4H10/c1-4(2)3/h4H;1-3H3	NNPPMTNAJDCUHE-UHFFFAOYSA-N	0.057143	58.1230	{}	{}	{}	{}

In [5]:

ch.components[3].df()

ch.components[3].df()

Out[5]:

formula                                       C4H10
iupac_key               NNPPMTNAJDCUHE-UHFFFAOYSA-N
iupac                   1S/C4H10/c1-4(2)3/h4H;1-3H3
cas                                         75-28-5
molecular_weight                             58.123
van_der_walls                                    {}
redlich_kwong                                    {}
soave_redlich_kwong                              {}
peng_robinson                                    {}
mole_fraction                                  0.06
critical_pressure                             527.9
critical_temperature                         274.46
id                                              4.0
acentric_factor                               0.177
Name: isobutane, dtype: object

By default, the mole_fraction provided is normalized to sum 1.

In [6]:

ch.apparent_molecular_weight()

ch.apparent_molecular_weight()

Out[6]:

19.916638095238095

Example 5-1 - Ahmed Tarek, Equation of State and PVT Analysis¶

In [7]:

d1 = {
    'comp': ['propane','isobutane','butane','isopentane','pentane','n-hexane'],
    'mole_fraction':[0.2,0.1,0.1,0.2,0.2,0.2]
}

ch1 = Chromatography()
ch1.from_df(pd.DataFrame(d1),name='comp')

d1 = { 'comp': ['propane','isobutane','butane','isopentane','pentane','n-hexane'], 'mole_fraction':[0.2,0.1,0.1,0.2,0.2,0.2] } ch1 = Chromatography() ch1.from_df(pd.DataFrame(d1),name='comp')

In [8]:

ch1.vapor_pressure(Temperature(value=100, unit='farenheit'))

ch1.vapor_pressure(Temperature(value=100, unit='farenheit'))

Out[8]:

	vapor_pressure	vapor_pressure_unit
propane	188.735859	psi
isobutane	72.316273	psi
butane	51.405353	psi
isopentane	20.704631	psi
pentane	15.573256	psi
n-hexane	4.955708	psi

In [9]:

p1 = Pressure(value=50, unit='psi')
t1 = Temperature(value=100, unit='farenheit')

flash_df,moles = ch1.flash_calculations(p1,t1, k_method='ideal')

flash_df

p1 = Pressure(value=50, unit='psi') t1 = Temperature(value=100, unit='farenheit') flash_df,moles = ch1.flash_calculations(p1,t1, k_method='ideal') flash_df

Out[9]:

	mole_fraction	xi	yi	k
propane	0.2	0.154158	0.581903	3.774717
isobutane	0.1	0.095435	0.138030	1.446325
butane	0.1	0.099700	0.102502	1.028107
isopentane	0.2	0.213400	0.088367	0.414093
pentane	0.2	0.215934	0.067256	0.311465
n-hexane	0.2	0.221373	0.021941	0.099114

In [10]:

flash_df[['xi','yi']].sum()

flash_df[['xi','yi']].sum()

Out[10]:

xi    1.0
yi    1.0
dtype: float64

Equilibrium ratio correlation¶

Component Class¶

Pvtpy provides a class for each Component storing their attritutes and applying some methods.

Example 5-2 - Ahmed Tarek, Equation of State and PVT Analysis¶

In [11]:

d2 = {
    'comp': ['carbon-dioxide','nitrogen','methane','ethane','propane','isobutane','butane','isopentane','pentane','n-hexane'],
    'mole_fraction':[0.009,0.003,0.535,0.115,0.088,0.023,0.023,0.015,0.015,0.015]
}

c7_plus = Component(
    name = 'C7+', 
    molecular_weight=150.0,
    specific_gravity = 0.78,
    critical_temperature = 1139.4,
    critical_temperature_unit = 'rankine',
    critical_pressure = 320.3,
    critical_pressure_unit = 'psi',
    mole_fraction=0.005,
    params = {'acentric_factor':0.5067}
    
)

ch2 = Chromatography()
ch2.from_df(pd.DataFrame(d2),name='comp')
ch2.plus_fraction = c7_plus

d2 = { 'comp': ['carbon-dioxide','nitrogen','methane','ethane','propane','isobutane','butane','isopentane','pentane','n-hexane'], 'mole_fraction':[0.009,0.003,0.535,0.115,0.088,0.023,0.023,0.015,0.015,0.015] } c7_plus = Component( name = 'C7+', molecular_weight=150.0, specific_gravity = 0.78, critical_temperature = 1139.4, critical_temperature_unit = 'rankine', critical_pressure = 320.3, critical_pressure_unit = 'psi', mole_fraction=0.005, params = {'acentric_factor':0.5067} ) ch2 = Chromatography() ch2.from_df(pd.DataFrame(d2),name='comp') ch2.plus_fraction = c7_plus

In [12]:

ch2.df(temperature_unit='rankine')

ch2.df(temperature_unit='rankine')

Out[12]:

	acentric_factor	cas	critical_pressure	critical_temperature	formula	id	iupac	iupac_key	mole_fraction	molecular_weight	peng_robinson	redlich_kwong	soave_redlich_kwong	van_der_walls	specific_gravity
carbon-dioxide	0.2276	124-38-9	1071.0	547.58	CO2	50.0	1S/CO2/c2-1-3	CURLTUGMZLYLDI-UHFFFAOYSA-N	0.010638	44.0100	{}	{}	{}	{}	NaN
nitrogen	0.0403	7727-37-9	493.1	227.16	N2	56.0	1S/N2/c1-2	IJGRMHOSHXDMSA-UHFFFAOYSA-N	0.003546	28.0134	{}	{}	{}	{}	NaN
methane	0.0115	74-82-8	666.4	343.00	CH4	1.0	1S/CH4/h1H4	VNWKTOKETHGBQD-UHFFFAOYSA-N	0.632388	16.0425	{}	{}	{}	{}	NaN
ethane	0.0995	74-84-0	706.5	549.59	C2H6	2.0	1S/C2H6/c1-2/h1-2H3	OTMSDBZUPAUEDD-UHFFFAOYSA-N	0.135934	30.0700	{}	{}	{}	{}	NaN
propane	0.1523	74-98-6	616.0	665.73	C3H8	3.0	1S/C3H8/c1-3-2/h3H2;1-2H3	ATUOYWHBWRKTHZ-UHFFFAOYSA-N	0.104019	44.0970	{}	{}	{}	{}	NaN
isobutane	0.1770	75-28-5	527.9	734.13	C4H10	4.0	1S/C4H10/c1-4(2)3/h4H;1-3H3	NNPPMTNAJDCUHE-UHFFFAOYSA-N	0.027187	58.1230	{}	{}	{}	{}	NaN
butane	0.2002	106-97-8	550.6	765.29	C4H10	5.0	1S/C4H10/c1-3-4-2/h3-4H2;1-2H3	IJDNQMDRQITEOD-UHFFFAOYSA-N	0.027187	58.1230	{}	{}	{}	{}	NaN
isopentane	0.2275	78-78-4	490.4	828.77	C5H12	6.0	1S/C5H12/c1-4-5(2)3/h5H;4H2;1-3H3	QWTDNUCVQCZILF-UHFFFAOYSA-N	0.017730	72.1500	{}	{}	{}	{}	NaN
pentane	0.2515	109-66-0	488.6	845.47	C5H12	7.0	1S/C5H12/c1-3-5-4-2/h3-5H2;1-2H3	OFBQJSOFQDEBGM-UHFFFAOYSA-N	0.017730	73.1500	{}	{}	{}	{}	NaN
n-hexane	0.3013	110-54-3	436.9	913.27	C6H14	9.0	1S/C6H14/c1-3-5-6-4-2/h3-6H2;1-2H3	VLKZOEOYAKHREP-UHFFFAOYSA-N	0.017730	86.1770	{}	{}	{}	{}	NaN
C7+	0.5067	NaN	320.3	1139.40	NaN	NaN	NaN	NaN	0.005910	150.0000	{}	{}	{}	{}	0.78

In [13]:

t2 = Temperature(value=150, unit='farenheit')
p2 = Pressure(value=1000, unit='psi')

t2 = Temperature(value=150, unit='farenheit') p2 = Pressure(value=1000, unit='psi')

In [14]:

ch2.equilibrium_ratios(p2,t2)

ch2.equilibrium_ratios(p2,t2)

Out[14]:

carbon-dioxide     2.095845
nitrogen          16.410130
methane            7.170587
ethane             1.264162
propane            0.348719
isobutane          0.145274
butane             0.106260
isopentane         0.045894
pentane            0.036316
n-hexane           0.013462
C7+                0.000283
Name: k, dtype: float64

In [15]:

f2 = ch2.flash_calculations(p2,t2,k_method='wilson')
f2

f2 = ch2.flash_calculations(p2,t2,k_method='wilson') f2

Out[15]:

(                mole_fraction        xi        yi          k
 carbon-dioxide       0.010638  0.005513  0.011554   2.095845
 nitrogen             0.003546  0.000252  0.004135  16.410130
 methane              0.632388  0.101424  0.727270   7.170587
 ethane               0.135934  0.111047  0.140381   1.264162
 propane              0.104019  0.232467  0.081065   0.348719
 isobutane            0.027187  0.098913  0.014369   0.145274
 butane               0.027187  0.112455  0.011949   0.106260
 isopentane           0.017730  0.093053  0.004271   0.045894
 pentane              0.017730  0.097198  0.003530   0.036316
 n-hexane             0.017730  0.108758  0.001464   0.013462
 C7+                  0.005910  0.038922  0.000011   0.000283,
 {'liquid_moles': 0.1516065503028332, 'gas_moles': 0.8483934496971668})

Convergence Pressure¶

In [16]:

ch2.convergence_pressure(t2.convert_to('rankine'), method='rzasa')

ch2.convergence_pressure(t2.convert_to('rankine'), method='rzasa')

Out[16]:

6340.447020009115

In [17]:

ch2.equilibrium_ratios(p2,t2,method='whitson', pk_method='rzasa')

ch2.equilibrium_ratios(p2,t2,method='whitson', pk_method='rzasa')

Out[17]:

carbon-dioxide     2.840011
nitrogen          12.640159
methane            6.932466
ethane             1.968014
propane            0.773084
isobutane          0.409564
butane             0.326424
isopentane         0.177522
pentane            0.149794
n-hexane           0.072913
C7+                0.004429
Name: k, dtype: float64

Dew point example¶

Example 5-4 - Ahmed Tarek, Equation of State and PVT Analysis

In [18]:

d3 = {
    'comp': ['methane','ethane','propane','isobutane','butane','isopentane','pentane','n-hexane'],
    'mole_fraction':[0.8,0.05,0.04,0.03,0.02,0.03,0.02,0.005]
}

c7_plus1 = Component(
    name = 'C7+', 
    molecular_weight=140.0,
    specific_gravity = 0.8,
    mole_fraction=0.005,   
)

ch3 = Chromatography()
ch3.from_df(pd.DataFrame(d3),name='comp')
ch3.plus_fraction = c7_plus1

ch3.df()['mole_fraction']

d3 = { 'comp': ['methane','ethane','propane','isobutane','butane','isopentane','pentane','n-hexane'], 'mole_fraction':[0.8,0.05,0.04,0.03,0.02,0.03,0.02,0.005] } c7_plus1 = Component( name = 'C7+', molecular_weight=140.0, specific_gravity = 0.8, mole_fraction=0.005, ) ch3 = Chromatography() ch3.from_df(pd.DataFrame(d3),name='comp') ch3.plus_fraction = c7_plus1 ch3.df()['mole_fraction']

Out[18]:

methane       0.800
ethane        0.050
propane       0.040
isobutane     0.030
butane        0.020
isopentane    0.030
pentane       0.020
n-hexane      0.005
C7+           0.005
Name: mole_fraction, dtype: float64

In [19]:

t3 = Temperature(value=250, unit='farenheit')

t3 = Temperature(value=250, unit='farenheit')

In [20]:

ch3.vapor_pressure(t3)

ch3.vapor_pressure(t3)

Out[20]:

	vapor_pressure	vapor_pressure_unit
methane	10614.307094	psi
ethane	2250.990986	psi
propane	904.175597	psi
isobutane	421.487433	psi
butane	330.951526	psi
isopentane	166.827670	psi
pentane	133.257353	psi
n-hexane	59.305130	psi

In [21]:

ch3.convergence_pressure(t3, method='rzasa')

ch3.convergence_pressure(t3, method='rzasa')

Out[21]:

5036.176515953768

In [22]:

ch2.dew_point(t3)

ch2.dew_point(t3)

Out[22]:

295.0081247904794

Bubble Point Example¶

Example 5-4 - Ahmed Tarek, Equation of State and PVT Analysis

In [23]:

d4 = {
    'comp': ['methane','ethane','propane','isobutane','butane','isopentane','pentane','n-hexane'],
    'mole_fraction':[0.8,0.05,0.04,0.03,0.02,0.03,0.02,0.005]
}

c7_plus4 = Component(
    name = 'C7+', 
    molecular_weight=216.0,
    specific_gravity = 0.8605,
    mole_fraction=0.005,   
    critical_pressure=140,
    critical_pressure_unit='psi',
    critical_temperature=1279.8,
    critical_temperature_unit='rankine',
    params = {'acentric_factor':0.6353}
)

ch4 = Chromatography()
ch4.from_df(pd.DataFrame(d4),name='comp')
ch4.plus_fraction = c7_plus4

ch4.df()['mole_fraction']

d4 = { 'comp': ['methane','ethane','propane','isobutane','butane','isopentane','pentane','n-hexane'], 'mole_fraction':[0.8,0.05,0.04,0.03,0.02,0.03,0.02,0.005] } c7_plus4 = Component( name = 'C7+', molecular_weight=216.0, specific_gravity = 0.8605, mole_fraction=0.005, critical_pressure=140, critical_pressure_unit='psi', critical_temperature=1279.8, critical_temperature_unit='rankine', params = {'acentric_factor':0.6353} ) ch4 = Chromatography() ch4.from_df(pd.DataFrame(d4),name='comp') ch4.plus_fraction = c7_plus4 ch4.df()['mole_fraction']

Out[23]:

methane       0.800
ethane        0.050
propane       0.040
isobutane     0.030
butane        0.020
isopentane    0.030
pentane       0.020
n-hexane      0.005
C7+           0.005
Name: mole_fraction, dtype: float64

In [24]:

t4 = Temperature(value=200, unit='farenheit')

t4 = Temperature(value=200, unit='farenheit')

In [25]:

ch4.convergence_pressure(t4)

ch4.convergence_pressure(t4)

Out[25]:

8760.0

In [26]:

ch4.bubble_point(t4, k_method='wilson', pk_method='rzasa', method='brentq',bracket=[10,10100])

ch4.bubble_point(t4, k_method='wilson', pk_method='rzasa', method='brentq',bracket=[10,10100])

guesss 7096.641782999256
10.0
10100.0
10096.287548921608
6353.178998245239
7740.9031051774045
7417.157990169664
7365.207328418204
7365.571197067084
7365.568666338099
7365.568666213941
7365.568666213945

Out[26]:

7365.568666213941

In [27]:

df4 = ch4.df()
df4['k'] = ch4.equilibrium_ratios(
    Pressure(value=7365.58783690, unit='psi'),
    Temperature(value=200, unit='farenheit'),
    method='whitson',
    pk_method='rzasa'
)
df4['k']

df4 = ch4.df() df4['k'] = ch4.equilibrium_ratios( Pressure(value=7365.58783690, unit='psi'), Temperature(value=200, unit='farenheit'), method='whitson', pk_method='rzasa' ) df4['k']

Out[27]:

methane       1.319077
ethane        0.986706
propane       0.792710
isobutane     0.681919
butane        0.647810
isopentane    0.561147
pentane       0.540007
n-hexane      0.456459
C7+           0.131417
Name: k, dtype: float64

In [28]:

np.sum(df4['mole_fraction']*df4['k'])-1

np.sum(df4['mole_fraction']*df4['k'])-1

Out[28]:

0.20029267184443644

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