Detailed results and pure component properties

Thermodynamic and Transport Properties of Hydrogen Containing Streams

Aliakbar Hassanpouryouzbanda*, Edris Joonakib, Katriona Edlmanna*, Niklas Heinemanna and Jinhai Yangc
a) School of Geosciences, University of Edinburgh, Grant Institute, West Main Road, Edinburgh, EH9 3JW, UK
b) TÜV SÜD National Engineering Laboratory, Scottish Enterprise Technology Park, East Kilbride, South Lanarkshire, G75 0QF, United Kingdom
c) Hydrates, Flow Assurance & Phase Equilibria Research Group, Institute of GeoEnergy Engineering, School of Energy, Geoscience, Infrastructure and Society, Heriot-
Watt University, Riccarton, Edinburgh, EH14 4AS, UK

*
Corresponding authors: A.H: Hssnpr@ed.ac.uk, K.E: katriona.edlmann@ed.ac.uk
*

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Table of Content:
Critical density and temperature, and molar masses of components .…………………………………………………………….…..S3
Density and temperature reducing functions’ binary parameters .………………………………………………………………….…..S4
Thermodynamic and transport properties of “H2 + CH4“………………………………………………………………………………….…..S5
Thermodynamic and transport properties of “H2 + N2".……………………………………………………………………………………….S12
Thermodynamic and transport properties of “H2 + CO2”.…………………………………………………………………………………….S19
Thermodynamic and transport properties of “H2 + Natural gas”.………………………………………………………………………..S26

Table S1. Critical density and temperature, and molar masses of components used in this study from Kunz and
Wagner1.
Component Formula ρc ,i (mol·dm−3 ) Tc,i (K) Mi (g·mol−1)
Hydrogen H2 14.94 33.19 2.01588
Methane CH4 10.13934 190.564 16.04246
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 Carbon Dioxide CO2 10.62498 304.1282 44.0095
Nitrogen N2 11.1839 126.192 28.0134
Ethane C2H6 6.870855 305.322 30.06904
Propane C3H8 5.000043 369.825 44.09562
n-Butane n-C4H10 3.920017 425.125 58.1222
iso-Butane i-C4H10 3.860143 407.817 58.1222
n-Pentane n-C5H12 3.215578 469.7 72.14878
iso-Pentane i-C5H12 3.271 460.35 72.14878

Table S2. Density and temperature reducing functions’ binary parameters from Kunz and Wagner 1 for components
used in this study. We refer readers to Kunz and Wagner 1 for other coefficient and parameters used in this study.
Mixtures β ν ,ij γ ν ,ij β T , ij γ T , ij
H2- CH4 1.0 1.018702573 1.0 1.352643115
H2 - CO2 0.904142159 1.152792550 0.942320195 1.782924792
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H2- N2 0.972532065 0.970115357 0.946134337 1.175696583
H2- C2H6 0.925367171 1.106072040 0.932969831 1.902008495
H2- C3H8 1.0 1.074006110 1.0 2.308215191
H2- n-C4H10 1.0 1.232939523 1.0 2.509259945
H2- i-C4H10 1.0 1.147595688 1.0 1.895305393
H2- n-C5H12 1.0 1.188334783 1.0 2.013859174
H2- i-C5H12 1.0 1.184340443 1.0 1.996386669
CH4- CO2 0.999518072 1.002806594 1.022624490 0.975665369
CH4- N2 0.998721377 1.013950311 0.998098830 0.979273013
CH4- C2H6 0.997547866 1.006617867 0.996336508 1.049707697
CH4- C3H8 1.004827070 1.038470657 0.989680305 1.098655531
CH4- n-C4H10 0.979105972 1.045375122 0.994174910 1.171607691
CH4- i-C4H10 1.011240388 1.054319053 0.980315756 1.161117729
CH4- n-C5H12 0.948330120 1.124508039 0.992127525 1.249173968
CH4- i-C5H12 1.0 1.343685343 1.0 1.188899743
CO2- N2 0.977794634 1.047578256 1.005894529 1.107654104
CO2- C2H6 1.002525718 1.032876701 1.013871147 0.900949530
CO2- C3H8 0.996898004 1.047596298 1.033620538 0.908772477
CO2- n-C4H10 1.174760923 1.222437324 1.018171004 0.911498231
CO2- i-C4H10 1.076551882 1.081909003 1.023339824 0.929982936
CO2- n-C5H12 1.024311498 1.068406078 1.027000795 0.979217302
CO2- i-C5H12 1.060793104 1.116793198 1.019180957 0.961218039
N2- C2H6 0.978880168 1.042352891 1.007671428 1.098650964
N2- C3H8 0.974424681 1.081025408 1.002677329 1.201264026
N2- n-C4H10 0.996082610 1.146949309 0.994515234 1.304886838
N2- i-C4H10 0.986415830 1.100576129 0.992868130 1.284462634
N2- n-C5H12 1.0 1.078877166 1.0 1.419029041
N2- i-C5H12 1.0 1.154135439 1.0 1.381770770
C2H6- C3H8 0.997607277 1.003034720 0.996199694 1.014730190
C2H6- n-C4H10 0.999157205 1.006179146 0.999130554 1.034832749
C2H6- i-C4H10 1.0 1.006616886 1.0 1.033283811
C2H6- n-C5H12 0.993851009 1.026085655 0.998688946 1.066665676
C2H6- i-C5H12 1.0 1.045439935 1.0 1.021150247
C3H8- n-C4H10 0.999795868 1.003264179 1.000310289 1.007392782
C3H8- i-C4H10 0.999243146 1.001156119 0.998012298 1.005250774
C3H8- n-C5H12 1.044919431 1.019921513 0.996484021 1.008344412
C3H8- i-C5H12 1.040459289 0.999432118 0.994364425 1.003269500
n-C4H10- i-C4H10 1.000880464 1.000414440 1.000077547 1.001432824
n-C4H10- n-C5H12 1.0 1.018159650 1.0 1.002143640
n-C4H10- i-C5H12 1.0 1.002728434 1.0 1.000792201
i-C4H10- n-C5H12 1.0 1.002779804 1.0 1.002495889
i-C4H10- i-C5H12 1.0 1.002284353 1.0 1.001835788
n-C5H12- i-C5H12 1.0 1.000024335 1.0 1.000050537

H2 + CH4

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Fig. S1. Predicted VLE diagrams for H2 + CH4 over a range of pressures and temperatures for various molar combinations.

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Fig. S2. Predicted densities for H2 + CH4 mixtures for various molar combinations.

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Fig. S3. Predicted viscosities for H2 + CH4 mixtures for various molar combinations.

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Fig. S4. Predicted thermal conductivities for H2 + CH4 mixtures for various molar combinations.

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Fig. S5. Predicted thermal capacities for H 2 + CH4 mixtures for various molar combinations.

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Fig. S6. Predicted enthalpies for H2 + CH4 mixtures for various molar combinations.

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Fig. S7. Predicted entropies for H2 + CH4 mixtures for various molar combinations.

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H2 + N2

Fig. S8. Predicted VLE diagrams for H2 + N2 over a range of pressures and temperatures for various molar combinations.

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Fig. S9. Predicted densities for H2 + N2 mixtures for various molar combinations.

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Fig. S10. Predicted viscosities for H2 + N2 mixtures for various molar combinations.

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Fig. S11. Predicted thermal conductivities for H 2 + N2 mixtures for various molar combinations.

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Fig. S12. Predicted thermal capacities for H2 + N2 mixtures for various molar combinations.

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Fig. S13. Predicted enthalpies for H2 + N2 mixtures for various molar combinations.

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Fig. S14. Predicted entropies for H2 + N2 mixtures for various molar combinations.

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H2 + CO2

Fig. S15. Predicted VLE diagrams for H2 + CO2 over a range of pressures and temperatures for various molar combinations.

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Fig. S16. Predicted densities for H 2 + CO2 mixtures for various molar combinations. As can be seen from Fig. S15 some of the
covered region is in the two phase (liquid + gas) area. For this region, the reported property belongs to the gas phase.
Moreover, some of the covered region is in liquid phase. For this region, the property is not reported which results in a
discontinuity within some figures. However, all the properties of the gas and liquid phases and the fraction of different
phases can be obtained using the H2ThermoBank software described in the main manuscript.

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Fig. S17. Predicted viscosities for H2 + CO2 mixtures for various molar combinations. As can be seen from Fig. S15 some of the
covered region is in the two phase (liquid + gas) area. For this region, the reported property belongs to the gas phase.
Moreover, some of the covered region is in liquid phase. For this region, the property is not reported which results in a
discontinuity within some figures. However, all the properties of the gas and liquid phases and the fraction of different
phases can be obtained using the H2ThermoBank software described in the main manuscript.

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Fig. S18. Predicted thermal conductivities for H 2 + CO2 mixtures for various molar combinations. As can be seen from Fig. S15
some of the covered region is in the two phase (liquid + gas) area. For this region, the reported property belongs to the gas
phase. Moreover, some of the covered region is in liquid phase. For this region, the property is not reported resulting in a
discontinuity within some figures. However, all the properties of the gas and liquid phases and the fraction of different
phases can be obtained using the H2ThermoBank software described in the main manuscript.

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Fig. S19. Predicted thermal capacities for H 2 + CO2 mixtures for various molar combinations. As can be seen from Fig. S15
some of the covered region is in the two phase (liquid + gas) area. For this region, the reported property belongs to the gas
phase. Moreover, some of the covered region is in liquid phase. For this region, the property is not reported which results in
a discontinuity within some figures. However, all the properties of the gas and liquid phases and the fraction of different
phases can be obtained using the H2ThermoBank software described in the main manuscript.

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Fig. S20. Predicted enthalpies for H 2 + CO2 mixtures for various molar combinations. As can be seen from Fig. S15 some of the
covered region is in the two phase (liquid + gas) area. For this region, the reported property belongs to the gas phase.
Moreover, some of the covered region is in liquid phase. For this region, the property is not reported which results in a
discontinuity within some figures. However, all the properties of the gas and liquid phases and the fraction of different
phases can be obtained using the H2ThermoBank software described in the main manuscript.

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Fig. S21. Predicted entropies for H2 + CO2 mixtures for various molar combinations. As can be seen from Fig. S15 some of the
covered region is in the two phase (liquid + gas) area. For this region, the reported property belongs to the gas phase.
Moreover, some of the covered region is in liquid phase. For this region, the property is not reported which results in a
discontinuity within some figures. However, all the properties of the gas and liquid phases and the fraction of different
phases can be obtained using the H2ThermoBank software described in the main manuscript.

H2 + Natural gas
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Fig. S22. Predicted VLE diagrams for H2 + Natural gas over range of pressure and temperature for various molar combinations.

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Fig. S23. Predicted densities for H2 + Natural gas mixtures for various molar combinations. As can be seen from Fig. S22 some
of the covered region is in the two phase (liquid + gas) area. For this region, the reported property belongs to the gas phase.
Moreover, some of the covered region is in liquid phase. For this region, the property is not reported which results in a
discontinuity within some figures. However, all the properties of the gas and liquid phases and the fraction of different
phases can be obtained using the H2ThermoBank software described in the main manuscript.

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Fig. S24. Predicted viscosities for H 2 + Natural gas mixtures for various molar combinations. As can be seen from Fig. S22
some of the covered region is in the two phase (liquid + gas) area. For this region, the reported property belongs to the gas
phase. Moreover, some of the covered region is in liquid phase. For this region, the property is not reported which results in
a discontinuity within some figures. However, all the properties of the gas and liquid phases and the fraction of different
phases can be obtained using the H2ThermoBank software described in the main manuscript.

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Fig. S25. Predicted thermal conductivities for H 2 + Natural gas mixtures for various molar combinations. As can be seen from
Fig. S22 some of the covered region is in the two phase (liquid + gas) area. For this region, the reported property belongs to
the gas phase. Moreover, some of the covered region is in liquid phase. For this region, the property is not reported which
results in a discontinuity within some figures. However, all the properties of the gas and liquid phases and the fraction of
different phases can be obtained using the H2ThermoBank software described in the main manuscript.

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Fig. S26. Predicted thermal capacities for H 2 + Natural gas mixtures for various molar combinations. As can be seen from Fig.
S22 some of the covered region is in the two phase (liquid + gas) area. For this region, the reported property belongs to the
gas phase. Moreover, some of the covered region is in liquid phase. For this region, the property is not reported which results
in a discontinuity within some figures. However, all the properties of the gas and liquid phases and the fraction of different
phases can be obtained using the H2ThermoBank software described in the main manuscript.

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Fig. S27. Predicted enthalpies for H2 + Natural gas mixtures for various molar combinations. As can be seen from Fig. S22
some of the covered region is in the two phase (liquid + gas) area. For this region, the reported property belongs to the gas
phase. Moreover, some of the covered region is in liquid phase. For this region, the property is not reported which results in
a discontinuity within some figures. However, all the properties of the gas and liquid phases and the fraction of different
phases can be obtained using the H2ThermoBank software described in the main manuscript.

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Fig. S28. Predicted entropies for H2 + Natural gas mixtures for various molar combinations. As can be seen from Fig. S22
some of the covered region is in the two phase (liquid + gas) area. For this region, the reported property belongs to the gas
phase. Moreover, some of the covered region is in liquid phase. For this region, the property is not reported which results in
a discontinuity within some figures. However, all the properties of the gas and liquid phases and the fraction of different
phases can be obtained using the H2ThermoBank software described in the main manuscript.

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References
1. 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, 3032–3091 (2012).

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