Hydrogen: Fueling

the Future of Clean Energy

HOW TO ADDRESS HYDROGEN PRODUCTION, DISTRIBUTION,
STORAGE, AND UTILIZATION CHALLENGES

www.ansys.com POWERING INNOVATION THAT DRIVES HUMAN ADVANCEMENT

 TABLE OF CONTENTS

Introduction .......................................................................................................................................... 03

Key Highlights ...................................................................................................................................... 04

Hydrogen Production Faces Complex Challenges.................................................. 05

Simulation Boosts Hydrogen Production Efforts .....................................................06

Simulation Improves Scale-Up Efficiency....................................................................... 07

Hydrogen Storage, Distribution,

and Safety Issues Remain Prevalent...................................................................................08

Simulation Improves Hydrogen Storage,

Distribution, and Safety.................................................................................................................09

Utilization Challenges for Fuel Cells..................................................................................... 10

Simulation Maximizes Fuel Cell Utilization Efficiency.............................................11

Stationary Hydrogen Power Generation...........................................................................12

Simulation/Stationary Power Generation........................................................................13

Summary and Conclusions..........................................................................................................14

Hydrogen: Fueling the Future of Clean Energy

2
Introduction
The energy industry is looking for new, more sustainable fuel sources, and
hydrogen has great potential as a clean alternative to fossil fuels. To realize that
potential, organizations pursuing hydrogen energy applications have to develop
the processes and infrastructure required to expand hydrogen production,
distribution, and utilization safely and efficiently.

Despite these challenges, organizations continue to support the progress of

hydrogen as an alternative energy source. There has been considerable investment
in research and development (R&D) efforts, often driven by government funding,
to unlock the value of this promising sustainable energy option. The largest share
of this R&D spending has focused on hydrogen production. Consequently, the
production phase of the hydrogen life cycle has experienced significant progress
toward making hydrogen cost effective. But researchers must also find safe and
innovative ways to distribute and store hydrogen while leveraging existing energy
infrastructure. Additionally, they must explore numerous use cases for hydrogen,
which can be utilized to power internal combustion engines (ICE), automotive fuel
cells, or fixed industry applications, such as oil and gas production.

The energy industry must accelerate its progress in developing the burgeoning
hydrogen economy, but R&D alone isn’t enough. Energy companies must also
adopt solutions that will allow them to develop technologies to hasten the
democratization of hydrogen energy. Such solutions can also increase safety,
efficiency, and cost effectiveness throughout the hydrogen value chain—a concept
that emphasizes the economic value added at every stage of the hydrogen life
cycle. Production, storage, distribution, and utilization are interconnected links in
this chain. Making these steps more energy efficient and cost effective increases
hydrogen’s overall value as a clean energy solution.

This e-book explores how simulation tools assist in these endeavors, enhancing the
energy industry’s ability to produce, distribute, store, and utilize hydrogen across
the entire value chain.

Hydrogen: Fueling the Future of Clean Energy

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 Key Highlights

1 Massive government investment in cleaner energy

sources has prompted a growing interest in hydrogen energy as
an alternative to fossil fuels.

2 Though hydrogen shows great promise

in meeting increased demand for clean energy solutions, there
are myriad challenges preventing its widespread adoption,
including process inefficiencies, scale-up costs, safety issues, and
cost ineffectiveness.

3 Current production, distribution, storage,

and utilization approaches are too limited to establish hydrogen
as a mainstream alternative to traditional energy sources.
Improvement is needed to address safety and efficiency
issues associated with these processes and encourage more
widespread hydrogen adoption.

4 Energy companies can leverage modern

simulation tools to address various challenges across the
hydrogen value chain, gaining the data and insights necessary
to translate the promise of hydrogen energy as a prevalent
alternative.

Hydrogen: Fueling the Future of Clean Energy

4
Hydrogen Production Faces
Complex Challenges
One of the biggest hurdles to the widespread adoption of hydrogen energy is parts and leads to catastrophic failures, resulting in extended periods of
the inefficiency of existing production, distribution, and utilization processes. At downtime that translate to costly, lengthy delays in production. Whatever
present, energy losses affect each of these phases in the hydrogen value chain, methods they rely on, energy companies must find ways to increase the value of
often undermining companies’ fundamental reasons for producing clean energy hydrogen production by scaling their efforts safely and minimizing energy loss.
in the first place. In some cases, companies may even consume more energy
than they save across the hydrogen life cycle. Energy companies are therefore
developing new production methods that enhance existing technologies
and reduce energy loss. However, there are also many opportunities to realize
gains with current technologies, provided engineering teams have the data
and insights to make the necessary changes to optimize processes, maintain PROTON EXCHANGE MEMBRANE
equipment, and support sustainability goals. (PEM) ELECTROLYSIS

For example, some organizations are looking to scale steam methane reforming
Cathode - Anode +
(SMR), a method that creates hydrogen from methane gas. But they must do
so in a way that allows them to handle volatile elements safely and capture
H2 H2
resulting carbon emissions while minimizing the loss of energy during the
process. Without the ability to capture the carbon dioxide produced by the
SMR reaction, this approach offers little advantage over current greenhouse gas
technologies.
H+

Other energy companies are looking to harness the power of electricity to

Membrane
make hydrogen from water through electrolysis, a process that requires passing
2H+ + 2e-H2 H2O2H+ + 1 ⁄2O2 + 2e-
electrical currents through a water solution using electrodes. Electrolysis
produces no carbon emissions, which gives it an advantage over SMR. However,
the process also requires considerable amounts of electricity, so its efficiency
is partially determined by how sustainably that electricity can be sourced. In
FIGURE 1
addition, electrolyzers—the machines that make hydrolysis possible—are plagued
Energy companies can produce hydrogen without carbon emissions using
with durability issues stemming from frequent exposure to high temperatures, proton exchange membrane (PEM) electrolysis. However, energy sourcing
and equipment issues reduce this process’ overall efficiency.
electrical currents, and corrosive materials. Over time, this exposure degrades

Hydrogen: Fueling the Future of Clean Energy

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 Simulation Boosts Hydrogen
Production Efforts
Conventional hydrogen production methods, including SMR and electrolysis,
STEAM METHANE REFORMER are prone to disruption and inefficiency. Simulation mitigates these issues by
providing insights that enable energy companies to make both processes more
environmentally friendly and to reduce typical energy loss, which also improves
Exhaust
their commercial viability.

H2
Air
Simulation enables stakeholders to improve the SMR process by limiting the

Separator
greenhouse emissions it produces and making the process more efficient for
creating green hydrogen. Simulation provides insight into the complex reactions
that convert methane into a mixture of hydrogen gas and carbon dioxide.

Condenser
Reformer

Steam These insights include a given reaction’s type, rate, and yield. This information
Generator
allows engineers to refine reaction parameters and alter equipment designs to
reduce the amount of carbon dioxide SMR produces and increase companies’
CO + H2 + H2O
hydrogen production potential. Such improvements are already taking place,
and simulation is essential to taking them even further.
CO
Water
Energy companies can also leverage simulation results to improve electrolysis.
Natural Simulation enables engineers to rapidly explore configurations for parameters
Gas
such as current density, electrolyte concentration, temperature, and electrode
materials—rather than wasting time and money physically testing numerous
setups. It also provides an understanding of electrode behavior, ion transport,
fluid dynamics, and electrochemical reactions. This understanding is essential to
FIGURE 2
Simulation enables energy companies to reduce carbon emissions fine-tuning equipment and processes during scale-up and beyond. In addition,
resulting from SMR and thereby produce green hydrogen more simulation provides critical insights into equipment wear and tear. Then
efficiently.
companies can reduce downtime and extend equipment lifespans, driving down
costs.

Hydrogen: Fueling the Future of Clean Energy

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Simulation Improves
Scale-Up Efficiency
Simulation can also support organizations as they look to scale up hydrogen
production. Scaling requires organizations to expand infrastructure, such as
processing equipment, production lines, and shipment and storage receptacles,
so that they can produce greater volumes of clean hydrogen at a faster rate.

Using simulation, researchers and engineers can test processes and systems
virtually to improve production performance. In this manner, they can ensure
functionality while mitigating the time, cost, and safety risks inherent to the trial-
and-error approach often required by physical planning and testing.

Engineers can use simulation to scale production processes including SMR and
electrolysis. The simulation results empower more informed decisions about
these processes, highlighting potential cost, timeline, or physical asset issues.
Simulation can also help organizations determine whether to develop new
infrastructure from scratch or modify existing plant equipment. With insights
from simulation, engineers can refine the processes of designing, building, and
leveraging production infrastructure at scale. In addition, they can optimize the
plant for efficiency both in the design phase and during operations. As a result,
engineers effectively support scale-up and systems integration while avoiding
safety issues such as fire hazards and damage from pressure buildup.

Hydrogen: Fueling the Future of Clean Energy

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 Hydrogen Storage, Distribution,
and Safety Issues Remain Prevalent
Beyond production, opportunities for great gains lie in improving the storage
and distribution of hydrogen in both greenfield and brownfield applications.1
However, this is no easy task. Engineers must optimize storage spaces and reduce
the cost per kilogram to transport the hydrogen product while addressing safety
risks.

Hydrogen is a volatile element, and the longer the distribution distance, the
more challenging it is to move safely. Today, most hydrogen energy is transported
in a gaseous state over shorter distances. This requires significant compression
with high power requirements. Utilizing existing pipelines and minimizing
costs would be ideal. However, the existing infrastructure was not built to meet
hydrogen distribution requirements. Without proper modifications to handle
high pressures, companies run the risk of fires and other hazards. In addition,
many pipelines are made from steel or cast iron, which can corrode when
exposed to hydrogen over long periods. Using existing infrastructure also risks
additional energy losses due to leaks—hydrogen molecules are smaller than
natural gas molecules, which makes them more likely to escape containment.

Mid-distance applications, including shipping hydrogen overseas, require

liquefying hydrogen. This process calls for extremely low temperatures, which
makes this approach very expensive and prone to energy losses from heat
exchange. Similarly, energy companies also face high costs, disruption, and
complex barriers when distributing energy over long distances.

Another challenge lies in safely transporting hydrogen fuels. Transporting liquid

hydrogen over long distances on trucks, trains, or container ships causes sloshing
inside the tanks. Such movement of such frigid fluids in containers causes a rise
in pressure that may result in cracks and, consequently, asset breakdown. There is
1

Greenfield refers to new, undeveloped sites, often without prior construction, that offer a fresh start
also a risk of leaks, auto-ignition, and fire propagation.
for development without pre-existing constraints. Brownfield refers to previously developed sites that
may be contaminated or underutilized and require redevelopment.

Hydrogen: Fueling the Future of Clean Energy

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Simulation Improves Hydrogen
Storage, Distribution, and Safety
Much as it does in production, simulation also offers benefits when integrated
into the storage and distribution of hydrogen. Simulation enables companies
to ensure that hydrogen is stored and moved properly while reducing costs and
eliminating safety risks. Addressing these challenges is key to the widespread use
of hydrogen fuels as an energy source.

One application of simulation to hydrogen fuel storage and distribution lies in

the prediction of space utilization and costs per kilogram of transport for storage
spaces, pipelines, and tanks. Simulation gives engineers insight into structural
safety and heat loss in transient and steady-state environments and enables
them to optimize the design and manufacturing process of composite tanks
and tank-filling scenarios. Empowered with visualization of performance and
behaviors, engineers can make informed decisions to balance competing and
conflicting requirements.

Another application of simulation lies in addressing the challenges of short-,

medium-, and long-haul hydrogen distribution. Simulation allows engineers to
optimize materials selection and design more efficient compressors to improve
throughput and reduce energy consumption for short-range distribution.
They can also leverage simulation results to understand whether existing
pipeline infrastructure can withstand the high pressures required by hydrogen
distribution. Multiphysics simulation tools can assist engineers as they design
hydrogen compression and cryo-cooler processing to liquefy hydrogen gas for
efficient distribution over middle distances. Simulation enables engineers to
detect leaks, avoid fire hazards, and other risks with a range of multi-scale, multi-
physics approaches.

Finally, simulation helps engineers address safety concerns associated with

distribution and transport. It’s well-established that transporting hydrogen can
be dangerous for employees. Simulation enables engineers to avoid fire hazards
and other risks by simulating tanks’ material and mechanical strength and other
asset-specific parameters.

Hydrogen: Fueling the Future of Clean Energy

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Utilization Challenges
for Fuel Cells
The utilization of hydrogen fuels is another area requiring improvement for including starvation, drowning, and drying. Starvation occurs when the fuel cell
mainstream adoption and use. In some cases, energy companies build out lacks a sufficient supply of reactant, whereas drowning occurs when excessive
stationary systems and other infrastructure assets alongside production. In liquid hinders the diffusion of hydrogen gas and oxygen gas inside the fuel
other cases, the utilization of hydrogen fuels calls for mobility. In each case, the cell. Drying refers to the removal of excess moisture from the fuel cell, which
applications are clear: Fuel cells and power generation through combustion are interferes with electrolyte conductivity. Fuel cells may also have problems
the answer. Yet, each presents unique technical challenges. with water and thermal management, which can result in material fatigue,
inefficient performance, and premature aging. To ensure the right balance in the
The efficient and safe operation of fuel cells requires a careful balancing act of fuel cell’s reaction and to better understand how it will perform under a wide
their internal electrochemical reactions. Fuel cells are prone to several issues, range of operating conditions, engineers must be able to accurately predict its
polarization curve. The polarization curve, which represents cell voltage current
against operating current density, is the standard measure of performance for
fuel cell systems.

Hydrothermal stresses present another challenge in the development and

utilization of fuel cells. Hydrothermal stresses are the thermal and mechanical
strains that may arise from rapid temperature changes and water exposure,
which can ultimately damage fuel cell components. Such stresses can result in
material degradation, cracks, and reduced cell performance. Engineers must
address these issues to deliver the durability and reliability required to prevent
further energy loss along the value chain.

Hydrogen fuel isn’t just used in fuel cells. It also produces power through
combustion in gas turbines and internal combustion engines. In these use cases,
hydrogen must burn lean to avoid nitrogen oxide emissions. Such lean burns,
however, produce excessively loud flame noise and instability. This flame noise
indicates unsteady volumetric expansion of reacting gases and is associated with
unpredictable heat release fluctuations. To avoid such instability, engineers must
control the combustion process carefully to maintain a safe balance between
thermoacoustic phenomena—such as temperature, pressure, and density inside
the combustion chamber—and to prevent fire hazards such as flashback.

Hydrogen: Fueling the Future of Clean Energy

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Simulation Maximizes Fuel Cell
Utilization Efficiency
It is important that organizations utilize energy in the most efficient manner
possible to achieve their goals for hydrogen energy and net-zero emissions.
Engineers can improve efficiencies and reduce waste by incorporating simulation
into the design, development, and use of fuel cells. For example, engineers can FUEL CELL
use parametric studies in combination with 3D modeling tools to simulate
different fuel cell parameters and determine their effectiveness over time. They Load
can also gather insights about reactions and hydrothermal stress occurring inside
the fuel cell and determine the polarization curve. This way, simulation informs
Hydrogen Oxygen
users of how the fuel cell is performing across all operating conditions. The (From fuel) (Air)
resulting data helps engineering teams optimize fuel cell designs, avoiding the
2e- 2e-
pain of premature aging.
Electrolyte
+ +
When engineers leverage simulation, they can better address any lack of balance
2H+ 2H+ 2H+
in fuel cells and optimize processes across the entire fuel cell development life
cycle. As a result, they can provide energy more efficiently for longer periods of +

time. 1 ⁄2O2
Heat
Hydrogen +
H2 O
(Excess) Water
Such optimization benefits the environment too. It’s been well-established that
Cathode Anode
simulation can help avoid destructive byproduct release and potential safety
issues in fuel cells. But the environmental benefits of simulation extend to other
use cases. For example, engineers can leverage simulation to create optimized
FIGURE 3
gas turbines and internal combustion engines that burn a combination of
Energy companies can use 3D modeling and simulation to test fuel cell
hydrogen and blended fuels while reducing harmful emissions. performance under different parameters and throughout its lifespan.

Hydrogen: Fueling the Future of Clean Energy

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 Stationary Hydrogen
Power Generation
In addition to the mobile hydrogen applications in fuel cells and combustion
engines, stationary applications for power generation are also becoming more
common. Hydrogen hubs already support some industrial manufacturing plants
in Asia and Europe, and investments in hydrogen for power generation from the
U.S. Department of Energy (DOE) and the National Energy Technology Laboratory
(NETL) are making them more common stateside, too. In the future, these hubs
will present an opportunity for energy companies to leverage green hydrogen
and reduce reliance on fossil fuels across numerous industries, from aviation
to chemical production. Currently, however, relatively few of these facilities are
operating on a large scale.

Bringing more of these facilities online—and making them as efficient and

productive as possible—is crucial to creating value and accelerating the arrival
of the robust hydrogen economy that the energy industry is pursuing. As
with mobile utilization, however, today’s energy companies face difficulties in
accomplishing that goal.

Stationary power generation for hydrogen is highly resource-intensive, and

developing the appropriate infrastructure requires extensive planning. For
hydrogen hubs and other such facilities, proximity to renewable energy sources
is ideal, as it reduces storage and distribution requirements. But not every facility
will have that luxury. Those without renewable energy sources nearby must find
ways to efficiently and safely store and move hydrogen to enable large-scale
utilization.

Hydrogen: Fueling the Future of Clean Energy

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Simulation/Stationary
Power Generation
Simulation provides energy companies the capabilities they need to optimize
hydrogen plant system design. Simulation increases the efficiency of producing
hydrogen power through SMR or electrolysis, utilizing that power, and reducing
the energy loss common to those processes. By running simulations in a virtual
environment, engineers can test various system configurations without the need
for physical prototypes, saving both planning time and resources. Simulation
tools also enable engineers to accurately predict system performance under
different conditions. They can analyze equipment behavior based on input
parameters such as temperature, pressure, and hydrogen purity. As a result,
stakeholders gain insight into various systems’ real-world performance and can
make the necessary adjustments to improve it.

In addition, simulation allows stakeholders to evaluate system components,

materials, and configurations for cost effectiveness. They can make better-
informed design decisions without the energy consumption associated with
physical testing. Simulation can also help in planning the integration of hydrogen
power generation into existing infrastructure while minimizing disruption.
Stakeholders can use simulation to analyze how integrating these systems affects
critical issues such as load balancing, stability, and overall grid performance.

Reducing costs and increasing the efficiency of stationary hydrogen utilization

in these ways are critical steps on the path to minimizing both energy loss and
carbon emissions. The data-driven insights of simulation make those steps much
less complicated, costly, and time consuming than when using the industry’s
conventional approaches.

As a result of those insights, energy companies can both increase hydrogen

power’s economic appeal as an alternative energy solution and accelerate its
widespread adoption, bringing the industry’s reliance on fossil fuels closer to an
end.

Hydrogen: Fueling the Future of Clean Energy

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 Summary and Conclusions
There is a significant opportunity for growth and improvement across the entire
hydrogen value chain. By leveraging simulation-led R&D efforts, engineers can
boost production efficiencies, address distribution and storage concerns, and
reduce fuel consumption across utilization applications. In doing so, they can
establish hydrogen as a mainstream sustainable energy source.

Simulation provides energy companies a clear path to realizing the

improvements necessary to make hydrogen a widespread, sustainable energy
option. When organizations successfully integrate simulation into their hydrogen
value chain, energy processes, and research, they see improvements in efficiency,
yield, costs, and time to market.

To make the most of the opportunity to maximize the value of this promising
clean energy alternative, energy manufacturers should do the following:

Analyze their hydrogen value chain to identify key challenges in

hydrogen production, storage and distribution, utilization, and safety—
and to thoroughly understand their impact on costs and sustainability.

Explore simulation solutions to optimize systems for design, safety, and

operations across the hydrogen value chain.

Implement simulation tools throughout their hydrogen production,

storage and distribution, and utilization processes to save on time and
costs while promoting environmental and sustainability goals and
protecting the safety of their plants and employees.

Evaluate existing processes and personnel to ensure any new solutions

are supported by corresponding process adjustments and changes to
roles and responsibilities as needed throughout the organization.

Hydrogen: Fueling the Future of Clean Energy

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