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i n t e r n a t i o n a l j o u r n a l o f h y d r o g e n e n e r g y 4 7 ( 2 0 2 2 ) 1 5 8 3 2 e1 5 8 4 4

Available online at www.sciencedirect.com

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journal homepage: www.elsevier.com/locate/he

Advancing in the decarbonized future of natural


gas transmission networks through a CFD study

Teresa Villuendas a,1, Carlos Montan ~ es b, Antonio Go


mez b,
Alberto Cerezo Alarco n c, M. Dolores Storch de Gracia c,d,e,
 nchez-Laı́nez a,*,1
Javier Sa
a
Fundacion para el Desarrollo de las Nuevas Tecnologı́as del Hidrogeno en Aragon, Parque Tecnologico Walqa, Ctra.
N-330a, Km. 566, 22197 Huesca, Spain
b
Nabladot, S.L., C/Marı́a Zambrano 31, WTCZ, Torre Oeste, Planta 11, Zaragoza, 50018 Spain
c
Redexis, C/ Mahonia 2, 28043 Madrid, Spain
d
Department of Organizational Engineering, Business Administration and Statistics, Escuela Tecnica Superior de
Ingenieros Industriales, Universidad Politecnica de Madrid, 28006 Madrid, Spain
e
Grupo de Investigacion Organizaciones Sostenibles (GIOS), Universidad Politecnica de Madrid, 28006 Madrid, Spain

highlights graphical abstract

 Modelling the injection of


hydrogen in the natural gas
transmission grid.
 CFD studies to anticipate the
behavior of the new fluid.
 Mixing quality and possible segre-
gation in blending stations
considered.
 Flow pattern when DN 80 pipes
expands to a DN 150 or a DN 250
pipes.
 Simulation of pumping of H2 and
CH4 by a piston type compressor.

article info abstract

Article history: The injection of green hydrogen into the natural gas grid is a way to decarbonize the gas
Received 13 December 2021 sector and build an economic transport route for the large-scale delivery of hydrogen. The
Received in revised form suitability of the natural gas infrastructure for this purpose depends on the impact that
3 February 2022 hydrogen may have on the correct operation of its components and understanding the new
Accepted 7 March 2022 flow conditions in the system is essential for this aim. Computational studies can antici-
Available online 6 April 2022 pate the expected environment in the pipe system, assessing the readiness of the system.
However, the experience on this topic is not extensive enough and deeper understanding is
Keywords: necessary. Here we show a CFD study to simulate the transport of H2/NG blends in a gas
Low-carbon hydrogen setup with the main characteristics of injection sites and gas pipelines representatives of

* Corresponding author.
E-mail address: jsanchez@hidrogenoaragon.org (J. Sa  nchez-Laı́nez).
1
Both Teresa Villuendas and Javier Sa  nchez-Laı́nez are first authors of this article.
https://doi.org/10.1016/j.ijhydene.2022.03.055
0360-3199/© 2022 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
i n t e r n a t i o n a l j o u r n a l o f h y d r o g e n e n e r g y 4 7 ( 2 0 2 2 ) 1 5 8 3 2 e1 5 8 4 4 15833

Natural gas grid retrofitting the transmission gas network. This setup considers a blending station, the pumping and
Grid decarbonization injection procedure, and different pipelines geometries to predict the behavior of various
Hydrogen injection mixtures of H2/NG. It can be seen how (1) a good mixing is achieved in the blending station
CFD study after a pipe length equivalent to 20e30 diameters is reached; (2) pumping gas by a piston
Transmission gas grid modelling type compressor shows pulsations in the flow regardless the composition of the blend that
can be damped implementing mitigation measurements; and (3) asymmetries in the flow
are found when the direction of the fluid changes after section reduction, but 20 diameters
downstream of the reduction the flow is fully developed.
© 2022 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

fuels, being responsible for the emission of around 830 Mt of


Introduction CO2/year [1]. Hydrogen can however be also produced from
environmentally friendly and renewable resources. Green
Oil, coal and natural gas -all fossil fuels-accounted for around hydrogen, i.e. hydrogen generated by means of renewable
79% of the global energy consumption in 2020 [1], making the sources, is produced through water electrolysis. It is necessary
global energy-related CO2 emissions reach 30.6 Gt that year [2]. that this electricity comes from renewable sources (wind,
NOx and SO2 emissions from direct combustion are also solar, etc.) so that the hydrogen can get this “green” label.
important pollution to be considered [3]. Just the consumption Besides, the production of hydrogen via reforming of bio-
of natural gas (NG) in the world was near 4,000 bcm, being one ethanol or biogas is also considered low carbon hydrogen [10].
of the most demanded energy fuels [1]. According to the Paris The production of hydrogen from renewable energy sources
Agreement, limiting the global warming to 1.5  C implies net could become competitive in the coming years. Until 2050,
zero CO2 emissions by 2050. Therefore, to reach this goal it minimum production costs for hydrogen from renewable
would be necessary to reduce the global energy demand and energy sources could fall to $1.5/kg under central assumptions
decarbonize the electricity and other fuel sectors [2]. Besides, and to below $1/kg under optimistic assumptions in some
the shift away from fossil-derived fuels and their replacement regions [11].
with renewable alternatives, some of them of intermittent Although nowadays most of the produced hydrogen is
production rate, will also require the increase of the electrical consumed locally, a supply infrastructure connecting pro-
grid and additional measures for storage to ensure stability [4]. duction and consumption is needed to facilitate the large-
Governments worldwide are currently focusing on the injec- scale utilization of this gas. This infrastructure can be newly
tion of renewable gases, among which low-carbon hydrogen built, or alternatively, based on the conversion of existing
can be highlighted, into the natural gas grid as a way to assets [12]. Retrofitting existing natural gas pipelines is
decarbonize the gas sector, decreasing the fossil fuel con- potentially the most economical way to establish an infra-
sumption and reducing greenhouse emissions [5]. A ‘hydrogen structure to transport hydrogen across continental distances
economy’ is currently emerging through a variety of decar- without developing a dedicated infrastructure and can mean
bonization strategies since hydrogen has the potential to play an alternative to other more energy demanding routes, such
a role in meeting energy storage and balancing needs [6]. Ac- as the transport in liquid phase by trucks, railways and ships
cording to this picture, the natural gas grid infrastructure will [13]. This way, the transport of hydrogen through the existing
experience strong changes in the next future. Classic natural natural gas grid, either as a blend with natural gas or as pure
distribution scenarios will not be valid anymore and the grid phase gas, can be a useful tool a) for decarbonizing the natural
could start receiving different gases such as biomethane and gas sector, as well as b) to come up as a solution for the
hydrogen, whose properties (heating value, density, etc.), transport of hydrogen from production centers to the big
different to those of natural gas, will significantly influence consumption points.
the management of the grid. Besides, the regulation author- Nevertheless, the conversion of the natural gas network for
ities will be required more accuracy in the control of the gas the transport of hydrogen involves many technical chal-
quality delivered to the customers [7]. lenges, as it requires adjustments in the facilities necessary to
In 2020, the world hydrogen demand was around 90 Mt, guarantee the safe and efficient transport of a new gas such as
with more than 70 Mt used as pure hydrogen and less than hydrogen, which does not meet the same requirements as
20 Mt mixed with carbon-containing gases in methanol pro- natural gas. Since the physical and chemical properties of
duction and steel manufacturing [8]. 49% of this hydrogen was hydrogen and natural gas are different, the injection of
produced from natural gas, about 30% from oil, 18% from coal hydrogen into natural gas pipeline grid will also engender
and 4% via water electrolysis. 80% of the produced amount different hazards that are neither all known nor understood
was mainly consumed by the chemical industry and by [14]. For instance, adding 10%vol concentration of hydrogen in
petrochemical refineries. The remaining amount was utilized natural gas can reduce the density of the blend by 11.8%,
in various processes including scenarios where hydrogen was elevate the pressure losses over the pipeline length by 5.4%
used as energy carrier [9]. These data show how the produc- and reduce the temperature drop by 6.1%. Besides, hydrogen
tion of hydrogen is mainly based on the reforming of fossil
15834 i n t e r n a t i o n a l j o u r n a l o f h y d r o g e n e n e r g y 4 7 ( 2 0 2 2 ) 1 5 8 3 2 e1 5 8 4 4

concentrations over 2 %vol make the viscosity of the blend the literature. Most of them, however, are again focused on
decrease, while concentrations below this amount increase it the impact of H2/NG blends on combustion issues [28,29] or
[15]. explosion risks [14,30,31]. Predicting the flow pattern of H2/NG
The impact of adding hydrogen to natural gas or blends in pipes and its comparison with the transport of bare
exchanging natural gas by hydrogen has been studied in natural gas or hydrogen is also necessary so that the natural
several experimental works. Most studies, however, corre- gas grid retrofitting or repurposing can become a reality. With
spond to end-uses and are related to the combustion field, this regard, Liu et al. [32] investigated the decompression
checking the effect that the blend has on the performance of speed wave of H2/NG gas mixtures in high-pressure pipelines
burners and the combustion process itself. For example, some and Behbahani-Nejad et al. [33] investigated the behavior of
experimental studies have evaluated the power, efficiency high velocity natural gas flows in pipes during purging pro-
and emissions of natural gas engines, highlighting the need to cess, highlighting changes in friction factor. Finally, Elaoud
change the design parameters for a better performance with et al. [34] studied high-pressure transient flows of H2/NG
the new fuel [16e18]. Understanding the impact that hydrogen blends in rigid pipelines concluding that transient pressure
may have on the correct operation of components and oscillations for hydrogen and blends were higher compared to
equipment of natural gas grids is vital to decide if the infra- natural gas. Modelling tanks filling with hydrogen is also an
structure is ready for the delivery of this new gas, applying the important issue related to the topic since injection scenarios
necessary adaptations in consequence. The use of the existing need for pressurized storage buffers where hydrogen must be
compression and pressure-reduction stations, hydrogen stored at high pressure to feed the injection point. Some works
embrittlement issues and gas leakages are key aspects to be are focused on the temperature increase during this filling
considered when analyzing the suitability of the natural gas process, highlighting how the heat transfer to the solid
grid for hydrogen transport [19]. While piston compressors are structure of the tank plays an important role in the thermo-
basically not affected by the addition of hydrogen to natural dynamics of the process [35]. Modelling the injection of CO2 in
gas, centrifugal compressors require the compression of a oil and gas wells can also serve as reference studies to apply in
volume three times as large as when natural gas is used, hydrogen injection scenarios owing to their extensive back-
which can affect to the capacity of compressor stations. ground, especially for geological hydrogen storage. Some
Regarding regulation stations, reducing the pressure of natu- mathematical models have been developed to analyze the
ral gas causes its temperature to decrease 0.5  C/bar, whereas effect of injection parameters of CO2 on the performance of
the temperature rises 0.035  C/bar when the pressure of geothermal energy extraction [36e38]. The injection of
hydrogen is considered. This issue is related to the seawater or steam is also considered in some other works
JouleeThompson effect, with different impact for each gas. [39e41] and shale gas or oil transport through nanopores can
The change to hydrogen would result in a temperature rise, also be found in the literature [42,43]. The available informa-
avoiding or at least minimizing freezing problems in compo- tion regarding hydrogen injection is, however, limited and a
nents. The risk of hydrogen embrittlement depends on the deeper understanding of the relevant transport phenomena of
material of the pipeline, but also on the pipeline's history. The new gases in natural gas grids is still missing and therefore,
impact of hydrogen embrittlement on carbon steels with necessary to fill the existing gaps of knowledge.
qualities up to API 5L X80 has been studied in the literature to The work developed in this manuscript proposes several
identify the relationship between hydrogen concentration CFD model studies to simulate the flow of H2/CH4/H2S/N2/CO2
and failure loading with conclusion highly dependent on the blends through a piping system, consisting in an injection site
testing conditions [20,21]. and a gas pipeline, aiming to anticipate the flow behavior that
In order to assess that the hydrogen transport through is expected when new gas conditions occur in high-pressure
natural gas pipelines can be achieved with successful opera- pipelines. The geometries studied recreate real components
tion of the natural gas infrastructure, it is necessary to identify to analyze the behavior of materials and equipment repre-
in advance the behavior of the new flow conditions that will sentative of transmission gas network. Thus, the results ob-
be present in the system. In this scenario, Computational tained are directly applicable to the existing infrastructure
Fluid Dynamics (CFD) are really useful tools. The high costs and its elements (scraper traps, changes of direction and
and time consumption associated with experimentation, section, etc.).
coupled with recent achievements in the development of
numerical solutions for the Navier-Stokes equations and the
enhancement of computing power and efficiency, have Experimental section
boosted the application of CFD as a viable alternative in in-
dustry [22]. This way, a CFD analysis can provide an accurate Definition of whole system and case of study
prediction of the gas behavior in the system, anticipating the
necessary changes before gas operators have to invest too The gas setup modeled in this work is depicted in the scheme
many resources in empirical tests [23]. of Fig. 1.
CFD techniques have been widely applied to support the It is a hypothetical setup which considers a simplified
design of equipment to manage hydrogen flows, such as tanks version of a hydrogen injection system and part of a natural
[24,25], ejectors [26] or injectors [27]. The CFD techniques have gas pipeline. The former starts with a blending station, con-
been proved as an efficient way to assess the equipment sisting in individual lines of pure gases (H2, CH4, CO2 and H2S)
performance, avoiding the traditional trial-and-error task [24]. that merge for blending, and the resulting mixture is stored in
Regarding H2/NG blends, there are many studies available in a buffer. Afterwards, the blend generated is pumped and
i n t e r n a t i o n a l j o u r n a l o f h y d r o g e n e n e r g y 4 7 ( 2 0 2 2 ) 1 5 8 3 2 e1 5 8 4 4 15835

injected into a natural gas pipeline. The latter consists in equation, ii) momentum equation and conservation of species
several natural gas pipelines of different sections, from DN 80 equation (chemical reaction is not considered). These equa-
to DN 250, in series. The system considers not only the tions are shown in detail in the section 5 of the Supporting
expansion/contraction of the flow owing to the change in the Information. The density of gaseous species is obtained ac-
pipe section, but also changes in the direction of the flow. cording to the ideal gas equation.
Natural gas is simplified in this study as a mixture of CH4 with One of the main uncertainties in these simulations has
traces of CO2, N2 and H2S as impurities. In some cases, only been the choice of the appropriate turbulence model, since in
the H2/CH4 blend is considered when the other gases do not the cases analyzed the Reynolds number indicates that the
add to much value to the flow simulated. flow is in a transition zone between laminar and turbulent
Specifically, five cases of study are addressed in this work: flow. Therefore, a sensitivity analysis has been performed
comparing the results obtained with several turbulence
i) The quality of the blend after merging lines in the models (LES, k-ε, k-ε low-Re, k-u low-Re) and, in addition,
blending station of the injection system. considering the flow as laminar.
ii) The pumping procedure to storage blends in the buffer. The geometric model (computational mesh) developed to
iii) The change of fluid direction in the gas pipeline after represent the experimental circuit can be seen in Fig. 2a. The
expansion from DN 80 to DN 250 computational mesh consists of approximately 5 million cells,
iv) The flow pattern after expansion of the gas pipeline combining polyhedral and hexahedral cells. This mesh is
from DN 80 to DN 150 refined in the areas adjacent to the pipe walls to capture as
v) The pumping of H2 and CH4 by a compressor and its accurately as possible the effects of the boundary layer on the
injection in the gas pipeline. gas flow circulation in the pipe.

The geometries for all these cases are detailed bellow in the Case 2: pumping blends in a buffer
following subsections.
This geometry is intended to study the filling of a buffer with
Case 1: quality of the blend in the blending station H2/NG mixtures, being stored under pressure for subsequent
injection into the gas pipeline. The storage buffer is formed by
The geometry and operational conditions for this specific case four bottles and its characteristics are described in Fig. S2.
of study is shown in Fig. S1. The geometry shows the The goal of this task is analyzing the operation of the
convergence of four individual gas lines formed by A316 storage tank from the point of view of the homogeneity of the
stainless steel pipes of 10.2 mm internal diameter. Each gas is hydrogen-methane mixture. Two different aspects have been
fed at a constant pressure of 15 bar and 25  C and all merge to studied: a) the possible segregation of a homogeneous
generate the mixture. The purpose of the study is to see at methane-hydrogen mixture in the tank and b) the homoge-
what point a homogeneous mixture is achieved, or the need to nization of methane and hydrogen when pure hydrogen is
incorporate a static mixer otherwise. The quality of the injected in the tank.
blending has been studied with different cases, in which the The segregation of a homogeneous methane-hydrogen
proportions of gas fluxes vary. The specific volume flows mixture (first case of study) has been performed in two
considered for each gas stream are described in Table S1. steps. 1) the simulation of the filling of one of the bottles to
These quantities correspond to mixing percentages between observe if any phenomenon occurs in this process that leads
15 and 70% H2 in CH4, thus covering a wide spectrum of pro- to the segregation of the mixture, and 2) the estimation of the
portions with low and high concentrations. separation of the mixture, once the filling process is ended,
To represent the phenomena taking place in the simulated due to the different density of hydrogen and methane. Three
pipes, the following equations (Navier-Stokes) are solved, simulations have been carried out on the filling of the tank. It
considering steady state and laminar flow: i) continuity is considered that both the tank and the injected mixture have

Fig. 1 e Scheme with an overall view of the gas setup aim of study in this work.
15836 i n t e r n a t i o n a l j o u r n a l o f h y d r o g e n e n e r g y 4 7 ( 2 0 2 2 ) 1 5 8 3 2 e1 5 8 4 4

calculated for 3 different initial tank pressures: 15 bar, 100 bar


and 150 bar. The maximum pressure allowed in the tank was
200 bar. These simulations are performed on a 2D (axi-sym-
metric) model of the tank (see Fig. 2b) constructed with 17,000
quadrilateral cells. Three minutes of filling were calculated,
with a time step of 1 ms. To represent the phenomena
occurring during the filling process, the following equations
(Navier-Stokes) are solved, considering transient laminar
flow: i) continuity equation, ii) momentum equation and iii)
conservation of species equation (chemical reaction is not
considered).
For studying the homogenization of methane and
hydrogen when pure hydrogen is injected in the tank (second
case of study), two possible situations are considered: 1) the
tank contains initially a 15 %vol H2 mixture in CH4 at 150 bar
and pure hydrogen in injected until the hydrogen content in
the blend rises to 30 %vol and 2) the initial concentration of
the blend at 135 bar is 30% vol and it is increased up to 50% vol.
The final total pressure in both cases is 200 bar.
The filling flow rate and temperature were the same as
before. The filling operation has been calculated for 10 h,
including filling and stabilization (reaching the steady stated
after the filling). These two simulations are performed on a 2D
(axi-symmetric) model of the tank built with 600 quadrilateral
cells (the computational resources required to simulate 10 h of
filling operation with the computational mesh used in the
previous task, 17,000 cells, are very high and, additionally, we
obtain a similar accuracy to that obtained with the 600-cell
computational mesh and considering an axy-symmetric per-
formance). The time step used was 20 ms. To represent the
phenomena that take place in the filling, the following Navier-
Stokes equations were solved, considering laminar and tran-
sient flow: i) Continuity equation and ii) Momentum equation.

Case 3: change of fluid direction in the gas pipeline after


expansion from DN 80 to DN 250

Changes in the flow pattern want to be studied in this geom-


etry, where a H2/NG blend, coming from a DN 80 pipe, enters
perpendicularly into another pipe DN 250 and the change of
direction occurs (seeFig. S3). The flow rate, pressure and
temperature are constant, being 56 m3N/h, 80 bar and 25  C,
respectively. Inside the DN 250 pipe, some objects are allo-
cated to check the impact that the flow may have on them,
simulating the presence of instrumentation or similar items
inside the pipe. The flow properties are summarized in Table
Fig. 2 e Geometrical models developed for the simulation
S2.
of each case of study: The quality of the blend after
The geometric model (computational mesh) developed to
merging lines in the blending station of the injection
represent this change of direction can be seen in Fig. 2c. In
system (a), the pumping procedure to storage blends in the
addition to the pipe walls, the geometry of the instrumenta-
buffer (b), the change of fluid direction in the gas pipeline
tion elements has also been modeled to analyze the behavior
after expansion from DN 80 to DN 250 (c), the flow pattern
of the materials in this type of systems operating at high
after expansion of the gas pipeline from DN 80 to DN 150
pressure. The computational mesh applied to this domain
(d) and the pumping of H2 and CH4 by a compressor and its
consists of approximately 1.3 million cells where polyhedral
injection in the gas pipeline (e).
and hexahedral cells are combined. The mesh is refined in the
areas adjacent to the pipe walls to capture as accurately as
the same composition, 85% methane and 15% hydrogen (vol- possible the effects of the boundary layer on the gas flow
ume). The filling flow rate is considered constant and equal to circulation in the pipe. To represent the phenomena that take
25.1 LN/min, the temperature being equal to 25  C. Consid- place in the simulated pipes, the following transport equa-
ering these conditions, the filling operation has been tions (Navier-Stokes) are solved, considering steady state: i)
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continuity equation, ii) momentum equation and iii) conser- same model for all cases (for the purpose of comparing re-
vation of species equation (chemical reaction is not sults), the LES turbulence model has been employed, the only
considered). one applicable in all regimes found. The Supporting Infor-
The density of gaseous species was obtained according to mation shows in detail the equations solved in these simu-
the ideal gas equation. One of the main uncertainties in these lations, corresponding to the implementation of the LES
simulations has been the choice of the appropriate turbulence turbulence model.
model, since depending on the composition of the gas mixture
in the cases analyzed, the Reynolds number ranges from 2500 Case 5: pumping H2 and CH4 by a piston type compressor
(case A1) to 16000 (case A5), so different turbulence regimes and its injection gas pipelines
(laminar, transition and turbulent) must be considered. After
the analysis of the different turbulence models previously The aim of this study is to analyze the flow downstream of a
performed, and given the complex geometry of the speci- piston type compressor and, in particular, the pulsating na-
mens, 2-equation turbulence models (RANS) have been cho- ture of this flow. By applying simulation techniques, the goal
sen: k-u SST Low-Re model for the A1 case (practically laminar is to observe the behavior of this flow and to determine
regime) and k-ε in the rest of the cases. The option of using an corrective measures if necessary. The compressor under
LES turbulence model has been discarded given the complex study consists of two coupled pistons, 180 desynchronized
geometry of the instrumentation elements, which would (see Fig. S5). This compressor increases the pressure of the
require a much more refined computational mesh than the gas from 60 bar to 80 bar. The flow exits the two pistons
one built. The section 5 of the Supporting Information shows through two DN 10 pipes, where the blue and orange lines
in detail the equations applied in these simulations. indicate the flow circulation after exiting the pistons. Both
pipes join in another DN 10 pipe, shown in green in Fig. S5.
Case 4: flow pattern after expansion of the gas pipeline from This pipe connects then to another DN 80 pipe (purple arrow).
DN 80 to DN 150 This conduit describes a circuit that ends at a pressure
regulation valve. The pressure drop in this final part of the
The goal of this case of study is determining the fluid flow circuit and the regulation valve raises up to approximately
behavior for different compositions (H2, CH4) at changes of 20 bar. Thus, the gas flow returns to the piston pump with a
section in the pipeline, especially the flow recovery after pressure of 60 bar.
passing through the pipe widening and the study of the forces The ducts from the piston outlet to the DN 80 pipe were
on the walls and welding rings. modeled considering the real geometry. Regarding the rest of
The geometry of this case of study is depicted in Fig. S4. the circuit, its most relevant effect on the possible pulsating
The pipe widens from DN 80 to DN 150. The length of the DN character of the flow is due to its volume, since it dampens
150 pipe is 2.4 m and it is divided by welding rings into 8 equal such pulsating behavior. Therefore, the rest of the circuit is
sections of 0.3 m length. Finally, after this section with a larger represented as an only duct equivalent to its volume, which
diameter, the pipe recovers its original diameter (DN 80). has been called “Virtual Buffer” in Fig. S5. Eventually, the final
The geometric model (computational mesh) developed to part of the circuit is modeled as a DN 80 duct (artificially
represent the experimental pipeline can be seen in Fig. 2d. In considered as a porous medium) in which a pressure loss of
order to reduce the computational cost without reducing the approximately 20 bar is introduced, representing the effect of
accuracy of the calculation, symmetry of revolution was a pressure regulation valve. The computational mesh used
considered in this geometry. This way, only ¼ of the pipeline is consists of 180,000 hybrid cells (see Fig. 2e).
solved. The computational mesh applied to this domain con- To set up boundary conditions, the following characteris-
sists of approximately 2.3 million cells (9.2 million cells in the tics and assumptions of the piston operation were considered:
whole domain), where polyhedral and hexahedral cells are i) the mass flow rate of the gas introduced in one cycle is 56
combined. The mesh is refined in the areas adjacent to the Nm3/h, ii) operation of 15 cycles per minute (i.e. 4 s per cycle),
pipe walls to capture as accurately as possible the effects of of which 2s correspond to the compression phase, iii) until
the boundary layer on the gas flow circulation in the pipe. The 80 bar is reached, no flow comes out of the piston, iv) in the
conditions simulated are those defined in Table S2 at 25  C and compression phase, 0.5 s are considered until 80 bar is
80 bar absolute pressure. reached; 0.2 s of linear increase of the flow rate with time, 1.1 s
To represent the phenomena occurring in the pipes, the of constant flow rate (86 Nm3/h), and, finally, 0.2 s of linear
following equations (Navier-Stokes) are solved, considering decrease of the flow rate with time until 0 Nm3/h is reached
the LES turbulence model i) continuity equation, ii) mo- and v) the pistons operate 180 out of phase.
mentum equation and iii) conservation of species equation The flow is assumed to be isothermal, with a constant
(no chemical reaction is considered). The density of gaseous temperature of 25  C. This assumption is based on the Joule-
species is obtained according to the ideal gas equation. One of Thomson coefficients and the pressure increase. Thus, a) for
the main uncertainties in these simulations has been the methane, the value of this coefficient is 0.45 K/bar; therefore,
choice of the appropriate turbulence model, since, depending an increase of 20 bar means a temperature increase of 9 K and
on the composition of the gas mixture in the cases analyzed, b) in the case of hydrogen, the value of this coefficient is
the Reynolds number ranges from 2500 to 16000 (see table S2), 0.029 K/bar; therefore, an increase of 20 bar means a
so it is in different turbulence regimes (laminar, transition and decrease in temperature of 0.6 K. Given such low tempera-
turbulent). Therefore, after the analysis of the different tur- ture variations, the isothermal flow hypothesis is considered
bulence models previously carried out, and in order to use the reasonable.
15838 i n t e r n a t i o n a l j o u r n a l o f h y d r o g e n e n e r g y 4 7 ( 2 0 2 2 ) 1 5 8 3 2 e1 5 8 4 4

To represent the phenomena occurring in the simulated


circuit, the following equations (Navier-Stokes) were solved,
considering transient state and turbulent flow (standard k-ε
model): i) continuity equation and ii) momentum equation.
The density of the gaseous species is obtained according to the
ideal gas equation (assuming a constant temperature of 25  C).
Details of the equations solved in this simulation are given in
section 5 of the Supporting Information. The time step used
was 2.5 ms.

Results and discussion

Case 1: quality of the blend in the blending station

This case of study considers evaluating at what point a ho-


mogeneous mixture is achieved in the blending station.
Choosing the appropriate turbulence model has been one of
the main uncertainties in the simulations of case 1. Therefore,
a sensitivity analysis has been performed comparing the re-
sults obtained with several turbulence models (LES, k-ε, k-ε
low-Re, k-u low-Re) and, also considering the flow as laminar
for the case in which 15 %vol H2 is blended with CH4. The
turbulence models used gave similar results (see Fig. S6), with
the laminar model being the one that, logically, obtained more
conservative results (greater pipe length to achieve good
mixing). For this reason, the flow simulation was determined
considering it as laminar flow for the cases indicated in Table
S1.
The results depicted in Fig. 3 show how the mixing of all
the streams, methane, hydrogen and impurities (H2S, N2
and CO2) occurs relatively quickly, reaching a homogeneous
mixture relatively close (downstream) to the junction of
these streams. In all the simulated cases it was observed
that a good mixing between the streams is produced once a
length of pipe equivalent to 20e30 diameters from the
junction point of these streams has been achieved. The
sensitivity analysis performed with different turbulence
models (a crucial aspect in the calculation of mixing qual- Fig. 3 e Evolution of methane and hydrogen mole fraction
ity) reinforces this conclusion. Considering this good and in the experimental circuit of case 1 of study when 15 %vol
fast mixing quality, the simulation of the effect of a static of H2 is blended with CH4 (a), 15 %vol of H2, 0.001 %vol H2S
mixer in the circuit was discarded as it was considered and 0.02 %vol N2 are blended with CH4 (b), 15 %vol of H2
unnecessary. and 2.5% vol of CO2 are blended with CH4 (c), 30 %vol of H2
is blended with CH4 (d) and 70 %vol of H2 is blended with
Case 2: pumping blends in a buffer
CH4 (e).

Two different issues have been studied in this part of the


work. Firstly, the possible segregation of a homogeneous
concentration contours are not incorporated since they pre-
methane-hydrogen mixture in the tank. Secondly, the ho-
sent a constant value throughout the domain.
mogenization of methane and hydrogen when pure hydrogen
Once the tank is full and the gas inside the tank is static,
is injected in the tank.
the aim was to study the possibility of segregation of the
Regarding the first part of the study, Fig. S7 shows the ve-
mixture due to the different densities of the components in
locity contours obtained from the simulations performed,
the mixture (methane and hydrogen). For this purpose, Eq. (1)
when the tank that it is initially at 15, 100 or 150 bar is filled
is applied, in which the partial pressure of a gas is calculated
with a 15/85%/% vol/vol H2/CH4 blend. Logically, higher ve-
as a function of elevation:
locities are observed as the initial pressure in the tank is
lower, especially in the case with an initial pressure of 15 bar,  
gM
where the density of the mixture in the tank is lower. No Pz ¼ Pz¼0 $exp  z (1)
RT
phenomena involving the segregation of hydrogen and
where:
methane species have been observed. Therefore, the
i n t e r n a t i o n a l j o u r n a l o f h y d r o g e n e n e r g y 4 7 ( 2 0 2 2 ) 1 5 8 3 2 e1 5 8 4 4 15839

 Pz¼0 are the gas partial pressure at a certain height z and at


the reference height (z ¼ 0 m);
 M is the gas molecular weight;
 g is the gravity;
 R is the universal ideal gas constant, and
 T is the temperature.

This equation indicates how the gases would segregate in a


gas column with a homogeneous mixture at the initial time
(and with atmospheric pressure at the reference height) if
these gases are let to evolve by the effect of gravity for infinite
time. Applying this equation to an initial composition of 50%
vol CH4/50%vol H2 at a reference altitude, it is observed in
Table S3 that the segregation of these gases is negligible at a
height of 2 m. Even at a height of 1,000 m, the effect of
segregation due to gravity and the different density of the
gases would be minimal. Noteworthy, this calculation has not
considered the possible molecular diffusion of these gases,
whose effect would be decreasing the possible difference in
concentrations between different elevations.
The second part of the study considers analyzing the filling
of a storage tank containing a methane-hydrogen mixture
with pure hydrogen. Specifically, the tank contains in the
beginning a 15 %vol H2 mixture in CH4 at 150 bar or a 30 %vol
H2 mixture in CH4 at 135 bar, and hydrogen is injected until 30
%vol and 50 %vol concentration is reached, respectively. A
summary of this conditions is shown in Table S4.
The results obtained in Case A are shown in Fig. 4a and
Fig. S8a. At the end of filling process, the concentration in the Fig. 4 e Contours of H2 concentration in the tank for
storage bottle is far from homogeneous. In the area of the different times of the filling process in case A (a) and case B
bottle next to the gas inlet (i.e. around the 1/5 upper length of (b) of case of study 2.
the bottle), hydrogen concentrations close to 100% can be
found. In the rest of the bottle, the initial concentration of
hydrogen in the reservoir (15% vol.) is still observed. Similar
results were obtained in Case B (see Fig. 4b and Fig. S8b), results obtained for the two cases defined showed that the
obviously with slight changes due to the difference in the homogenization of the mixture in the tank requires more than
initial conditions of the storage bottle and the filling time. 400 h. One of the reasons for such a long time is the very low
After the filling process and once the gas inside the tank is value of the diffusion coefficient of hydrogen in methane. At a
static, we estimate the time required for the full homogeni- temperature of 25  C and a pressure of 1 atm, the diffusion
zation of the mixture. Under the existing conditions (i.e. zero coefficient is equal to 7.26 105 m2/s [45]. However, this coef-
flow velocity), the only transport mechanism that contributes ficient is inversely proportional to the pressure (see Support-
to homogenization is molecular diffusion. It can be seen in ing Information). Therefore, at a pressure of 200 bar, this
Fig. S9 that the hydrogen concentration in the radial coordi- coefficient is 3.63 107 m2/s. Punetha et al. [46] reported in a
nate of the bottle is practically constant. Therefore, it was previous work homogenization time of around 1.8 h in a tank
assumed that molecular diffusion can be modeled as a one- with air in which helium is injected from the top. The tank
dimensional process, where the only dimension considered described in that article had almost half the height of that
is the height of the storage bottle. This assumption is considered in this work. Besides, the process was carried out
reasonable and allows to reduce the computational time at atmospheric pressure, making the diffusion easier. This
considerably. result can explain the high homogenization times obtained in
To carry out such a modeling, a 1D model was imple- this work.
mented using the FiPy program [44] (a calculation engine for
solving partial derivative equations using finite volume Case 3: change of fluid direction in the gas pipeline after
methods developed in the Python programming language by expansion from DN 80 to DN 250
the Center for Theoretical and Computational Materials Sci-
ence). This software was programmed to solve the molecular The aim of this task was determining the fluid flow behavior
diffusion transport equation (see section 5 in the Supporting for different compositions of hydrogen in changes of direction
Information), considering as initial conditions the H2 con- of pipelines as well as checking the impact of instrumentation
centration as a function of the bottle height. This value was allocated in the pipes. The flow comes from a DN 80 pipe and
obtained from the numerical simulation of the bottle filling enters perpendicularly into another pipe DN 250, where the
(see graph on the left in Fig. S8) and a pressure of 200 bar. The change of direction occurs.
15840 i n t e r n a t i o n a l j o u r n a l o f h y d r o g e n e n e r g y 4 7 ( 2 0 2 2 ) 1 5 8 3 2 e1 5 8 4 4

When pure hydrogen was transported (see Fig. 5a), it could Case 4: flow pattern after expansion of the gas pipeline from
be observed that the flow, once the expansion and change of DN 80 to DN 150
direction has occurred, recovered uniformity before passing
through the DN 250 pipe. As depicted in Fig. S10a, this recov- The goal of this case of study is determining the fluid flow
ery caused the forces to which each of the objects is subjected behavior for different compositions of H2 and CH4, when a gas
to be practically symmetrical in the direction of flow for each pipeline widens from DN 80 to DN 150.
of them, producing greater forces in those areas closer to the The expansion of the gas flow is strongly dependent on the
entrance of the flow near the widening area. Reynolds number (see Fig. 6). When 100% hydrogen is trans-
When a 15 %vol CH4 blend in H2 was transported, Fig. 5b ported (Re ¼ 2576, as detailed in Table S2), the flow does not
depicts how the flow, after expansion and change of direction, expand over the entire length of the widening. In all other
has not regained uniformity before passing through the DN cases, the expansion of the flow occurs closer to the entrance
250 pipe. The flow impacted the wall opposite the inlet orifice to the change of the pipe section as the Reynolds number in-
and, although it expanded as it went downstream, the highest creases. It can be therefore stated that there is a strong
velocities were located adjacent to this wall. Therefore, the dependence of the flow behavior at the change of the pipe
flow was not uniform when it reached the objects. This section on the Reynolds number, and thus on the flow
resulted in an asymmetric distribution of the pressures and composition.
forces caused by the flow in the instrumentation objects (see The forces caused by the fluid on the duct walls and weld
Fig. S10b). rings are negligible, given the low velocities that occur (lower
If a 30 %vol CH4 blend in H2 was considered, the flow than 0.1 m/s, see Fig. 6a). This can be seen in Fig. 6b and 6c,
adhered to a greater extent to the wall opposite the inlet showing the contours of pressure and shear stresses caused
orifice (see Fig. 5c), causing an even more asymmetric pres- by the flow on the duct walls. It can be seen that the values of
sure distribution in the instrumentation elements than in the these variables are rather low. Therefore, the duct walls
previous cases (see Fig. S6c). This tendency gets more relevant should not support additional forces to those caused by the
for the next two conditions (40 %vol H2 in CH4 and pure pressure at which the system operates (80 bar), as already
methane), as depicted in Fig. 5d and 5e and Fig. S10d and S10e. happened in the study of case 4.
These asymmetries extend to about 0.5 m downstream of the
section reduction. However, about 20 diameters downstream Case 5: pumping H2 and CH4 by a piston type compressor
of the reduction, the flow is fully developed. and its injection gas pipelines
The effects observed in the different cases studied inten-
sify as the percentage of methane in the mixture gets higher, The aim of this case of study is to analyze the pulsating nature
since the Reynolds number increases. For all the cases of the flow downstream of a piston type compressor.
considered, the pressures/forces caused by this flow in the The model described in the experimental section has been
instrumentation elements are negligible compared to the applied to a 100% CH4 stream and a 100% H2 stream. Since the
pressure at which the system operates (80 bar) given the very results obtained are identical, the simulation of other
low velocities of the gas flow in the system. methane-hydrogen compositions was discarded. Fig. 7a

Fig. 5 e Velocity contours (m/s) and streamlines for the change in fluid direction in the gas pipeline after expansion from DN
80 to DN 250 when 100 %vol H2 (a), 85 %vol H2þ15 %vol CH4 (b), 70 %vol H2þ30 %vol CH4 (c), 40 %vol H2þ60 %vol CH4 (d) and
100 %vol CH4 (e) is transported in case of study 3.
i n t e r n a t i o n a l j o u r n a l o f h y d r o g e n e n e r g y 4 7 ( 2 0 2 2 ) 1 5 8 3 2 e1 5 8 4 4 15841

Fig. 6 e Velocity contours (m/s) (a), pressure contours (Pa) (b) and shear stress (Pa) (c) of the gases in the duct widening for
each of the simulated cases in case of study 4: 100 %vol H2 (A1), 85 %vol H2þ15 %vol CH4 (A2), 70 %vol H2þ30 %vol CH4 (A3),
40 %vol H2þ60 %vol CH4 (A4) and 100 %vol CH4 (A5).

shows the variation of the mass flow rate at the outlet of the oscillations are also observed at these points, corresponding
two pistons (seeFig. S5) according to the considerations indi- to the moments when sudden changes in the flow rate are
cated in the experimental section. These flow rate variations introduced in the system. However, the flow rate at the outlet,
are maintained at the junction of the two pipes exiting the plotted in Fig. 7b, remains constant throughout the cycle. This
pistons, and at the junction of the latter duct with the DN 80 indicates that the flow is homogenized before reaching the
pipe, as observed in Fig. 7b. In this figure, small flow outlet. Finally, the pressure change with time in the so-called
15842 i n t e r n a t i o n a l j o u r n a l o f h y d r o g e n e n e r g y 4 7 ( 2 0 2 2 ) 1 5 8 3 2 e1 5 8 4 4

key elements for transporting and storing low-carbon


hydrogen in an economical and global way. For TSOs, it is
essential that the integrity of their networks can be guaran-
teed in this conversion process and the necessary actions are
established to allow a long-term use in full safety conditions.
Studies such as that carried out in this work make it possible
to foresee in advance the behavior of H2/NG blends and bare
hydrogen on elements of the transport grid, contributing to
the analysis of the technical feasibility of its conversion, and
generating confidence both in the operators and in the public
administration that regulates these activities.
CFD tools have been used in this work to develop models
that simulate the behavior of H2/CH4 mixtures in a hypo-
thetical setup, considering a simplified version of a hydrogen
injection system and part of a natural gas pipeline. From the
study of the quality of the resulting mixture in the blending
station (case 1), it was observed in all the situations that a
good mixing between the streams was produced once a length
of pipe equivalent to 20e30 diameters from the junction point
of these streams was reached. The sensitivity analysis per-
formed with different turbulence models (a crucial aspect in
the calculation of mixing quality) reinforced this conclusion.
Given this good and fast mixing quality, the simulation of the
effect of a static mixer in the circuit was discarded as it was
considered unnecessary.
In case of study 2, the pumping of blends in a buffer was
analyzed. The results obtained in this task showed that
segregation of a homogeneous methane-hydrogen mixture
stored in a tank did not occur under the conditions analyzed in
the study (steady state, constant temperature). Likewise,
when filling the tank with a mixture with the same compo-
sition as that existing in the tank, no segregation of the
mixture was observed, regardless of the pressure at which the
tank was initially loaded. However, regarding the filling of a
Fig. 7 e Changes in the mass flow rate out of each piston
tank with a different hydrogen concentration than that pre-
over time for a complete cycle of the two pistons (a).
sent in the tank, it was observed that homogenization re-
Changes the mass flow rate at the junction of the two pipes
quires a relevant time (close to 400 h) because of the very low
leaving the pistons (G junction), at the arrival at the DN 80
value of the diffusion coefficient of hydrogen in methane,
pipe (G DN80) and at the exit of the compressor (G out). And
especially at high pressures.
changes in the static pressure (related to the pressure at
When studying changes in the fluid direction in the gas
the outlet) before the final part of the circuit (pressure
pipeline after expansion from DN 80 to DN 250 (case 3), the
regulation valve) (c).
forces exerted by the flow on the instrumentation elements
were negligible, mainly due to the low flow velocities. In the
section reduction, some asymmetries were observed in the
flow due to the change of direction experienced by the flow.
“virtual buffer” is shown in Fig. 7c. The pressure depicted in These asymmetries extended to about 0.5 m downstream of
this graph is the static pressure relative to the outlet pressure the reducer. Nevertheless, around 20 diameters downstream
of the circuit fluid (60 bar). Logically, therefore, it is 20 bar, of the reduction, the flow was fully developed.
since the pressure provided by the pistons is 80 bar. The figure In case 4 the flow pattern after expansion of the gas pipe-
shows that the pressure fluctuations are minimal in the so- line from DN 80 to DN 150 was studied. In this case, the forces
called “virtual buffer". caused by the fluid on the duct walls and the weld rings in the
change of the pipe section were practically negligible. There-
fore, the design of the duct walls must consider mainly the
Conclusions pressure at which the system operates (80 bar), but not the
additional forces caused by the fluid. Furthermore, a strong
Transmission system operators (TSOs) are very keen for their dependence of the flow behavior at the expansion on the
infrastructures to actively participate in the decarbonization Reynolds number (and thus on the flow composition) was also
process of energy. Firstly, by transporting admixtures of nat- observed. As the Reynolds number was lower (i.e. higher
ural gas and hydrogen, with a view to ultimately transporting hydrogen concentration), the effect of the duct expansion on
pure hydrogen. This way, their infrastructures can become the flow was smaller. Thus, in the case with the lowest
i n t e r n a t i o n a l j o u r n a l o f h y d r o g e n e n e r g y 4 7 ( 2 0 2 2 ) 1 5 8 3 2 e1 5 8 4 4 15843

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