Energy Sources, Part A: Recovery, Utilization, and

Environmental Effects

ISSN: 1556-7036 (Print) 1556-7230 (Online) Journal homepage: https://www.tandfonline.com/loi/ueso20

Transient simulation and modeling of

photovoltaic-PEM water electrolysis

Seyedmehdi Sharifian, Neda Asasian Kolur & Michael Harasek

To cite this article: Seyedmehdi Sharifian, Neda Asasian Kolur & Michael Harasek (2019):
Transient simulation and modeling of photovoltaic-PEM water electrolysis, Energy Sources, Part A:
Recovery, Utilization, and Environmental Effects

To link to this article: https://doi.org/10.1080/15567036.2019.1602220

Published online: 08 Apr 2019.

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ENERGY SOURCES, PART A: RECOVERY, UTILIZATION, AND ENVIRONMENTAL EFFECTS
https://doi.org/10.1080/15567036.2019.1602220

Transient simulation and modeling of photovoltaic-PEM water

electrolysis
a a b
Seyedmehdi Sharifian , Neda Asasian Kolur , and Michael Harasek
a
Fouman Faculty of Engineering, College of Engineering, University of Tehran, Fouman, Iran; bInstitute of Chemical
Engineering, Vienna University of Technology, Vienna, Austria

ABSTRACT ARTICLE HISTORY

This work aims at analyzing the transient behavior of a photovoltaic- Received 23 October 2018
Polymer Electrolyte Membrane (PV-PEM) water electrolyser system based Revised 29 January 2019
on regional weather data. The goal of a dynamic modeling is to check how Accepted 8 February 2019
the system works against the load variations. In this study, the PV array is
KEYWORDS
used for power supply then, a controller and power conditioning to provide PEM electrolyser; TRNSYS;
clean energy for electrolyser. The electrolyser model is developed in hydrogen; photovoltaic;
MATLAB and it is used in a TRNSYS environment. The performance of simulation
a PEM electrolyser can be illustrated by the polarization curve which is
voltage–load current (V–I) characteristics. Moreover, a mathematical model-
ing for computing dynamic voltage based on current and all operation
parameters in electrolyser stacks have been developed. Then the transient
behavior of the PV-PEM system is analyzed over the seasonal condition base
on Vienna average weather information.

Introduction
Reliable electricity supplies are not accessible for more than 30% of world people who have access to
electricity (Mukherjee et al. 2016). Fossil and nuclear fuels have undeniable threats on the environ-
ment such as production of contaminant materials in the gas, liquid, and solid forms which
consequently result in climate changing. At the same time with increasing of the global attention
to reduction of pollutants, the global energy consumption has been raised up during the last decade.
Thus, the new clean technologies with the use of renewable energy sources are needed. However, it
may include new challenges to be considered (Bhatt 2014). The fluctuating and intermittent nature
of electricity generation from renewable power sources is an important issue. A wind farm in Spain
is a good example when reached in November 2013 over 54% of peak power demand, while it
reduced to 5% in June 2013 (“The Spanish Electricity System: preliminary report”).
Hydrogen is often considered a potential for future energy storage carrier to solve the problem of
seasonal energy storing in addition to the gap between load and demand when a renewable energy
source is utilized (Figure 1). Hydrogen can be used as fuel, converted into other chemicals, exported,
stored long-termly or even converted back to the power via a Polymer Electrolyte Membrane (PEM)
fuel cell. One of the most important issues regarding H2 production is purity of the final product.
Electrolysis is a promising application for water splitting into pure O2 and H2 by the use of direct
electric current. Among the commercial water electrolysis technologies, alkaline and PEM electrolysers,
PEM uses a solid proton-conducting polymer as the electrolyte and deionized water. The use of
polymers in the electrochemical systems dates back to 1966 when General Electric Company (GE)
developed the first polymer electrolyte material for a water electrolysis application. Then, the first PEM

CONTACT Seyedmehdi Sharifian sm.sharifian@ut.ac.ir Fouman Faculty of Engineering, College of Engineering, University
of Tehran, Fouman 43516-66456, Iran
Color versions of one or more of the figures in the article can be found online at www.tandfonline.com/ueso.
© 2019 Taylor & Francis Group, LLC
2 S. SHARIFIAN ET AL.

Figure 1. Schematic drawing of the hydrogen system.

water electrolyser commercialized by the GE in 1978 (Grigoriev, Porembsky, and Fateev 2006). Later
some researchers published the utilization of PEM water electrolyser features as economic, energy
consumption, and optimization (Aubras et al. 2017; Sartory et al. 2017; Shiva Kumar et al. 2018).
PEM electrolyser can operate at the high current density values (>2 A/cm2) in comparison with other
electrolysis methods. This feature decreases operational and overall costs and then makes PEM application
reliable. The hydrogen purity, higher than the other types of electrolysers (alkaline), is typically above 99.99
vol. % without the need of any auxiliary equipment. Furthermore, the low gaseous permeability of the
polymeric membranes reduces the risk of working with flammable mixtures (Barbir 2005). Another
interesting feature of PEM electrolysers is their ability to work under various power regimes loaded into
the system. This is due to the fact that the proton which has to move across the polymeric membrane
responds rapidly to the power fluctuations. In the contrary, in the alkaline electrolysers, liquid electrolytes
have a high inertia against proton moving (Carmo et al. 2013).
The present study is based on the modeling and simulation of proton exchange membrane (PEM)
water electrolysis for hydrogen production from solar energy sources. The integration of solar energy
with H2 production plant ensures that a local area is under multi-function energy supplier. The
solar-PEM combined application is highly affected by the energy delivered by PV system which is
a function of solar radiation. Therefore, the main objective of this study is to introduce a transient
process simulation in a complete framework when local weather information has to be considered.
For this purpose, TRNSYS (TRaNsient SYstems Simulation tool) is used as one of the best tools
for transient simulation, in particular when renewable energy system is utilized. The TRNSYS has
a modular structure which contains a variety of individual subroutines, the components, represent-
ing the mathematical model description of real physical devices.
There are some recent studies of PEM water electrolysis have been made using different methods
and applications. Abdin, Webb, and MacA Gray (2015) proposed a novel model of PEM eletrolyser
based on linked modular mathematical models. The proposed model can predict cell behavior over
different steady state operating conditions. Mohamed, Alli, and Ahmed (2016) modeled certain PEM
in connection with solar cells to define factors that can have impacts on hydrogen and oxygen
production rate. The simulation has been performed via MATLAB environment using different
 ENERGY SOURCES, PART A: RECOVERY, UTILIZATION, AND ENVIRONMENTAL EFFECTS 3

physical equations such as Nernst–Planck and Nernst-Einstein. Tijani and Rahim (2016) modeled
a PEM water electrolysis to investigate operating conditions impacts on cell efficiency. For this
purpose, a sensitivity analysis by means of polarization curve has been made at various operating
pressures. Ruuskanen et al. (2017) proposed a modular PHIL simulator for an industrial scale PEM
water electrolyser system. A nominal current of 405 A is achieved to study the electrolyser as part of
a smart grid and to evaluate the various power suppliers electronics performances. Espinosa-López
et al. (2018) studied on semi-empirical high-pressure PEM water electrolysis model which is in
connection with solar energy supplier. MATLAB–Simulink has been implemented for simulation
section which was based on parameters obtained from experiment. Colbertaldo, Aláez, and
Campanari (2017) proposed a dynamic zero dimension approach of a PEM water electrolysis
using Aspen Custom Modeler (ACM). Moreover, it was shown that the calculated results have
a good agreement with experimental data obtained from literature.
The main novelty of this study in comparison with the previous ones is connection of PEM user-
model with TRNSYS environment and then, investigation of transient behavior of a solar-PEM system
over a year using local annual weather information (Vienna). The model scheme can be beneficial in the
design and performance evaluation of a complex solar-PEM plant prior to practical realization.

Simulation model
As shown (Figure 2), the system comprises a weather data reader, PV array, controller, converter,
a water electrolyser, and a hydrogen storage unit.
The weather data component reads and interprets weather data available in a series of standardized
formats. In addition to reading data files, it calculates total, beam, sky diffuse, ground reflected solar
radiation, the angle of incidence of beam solar radiation, the slope and azimuth of as many surfaces as
the user cares to define. It further includes the calculation of water temperature and effective sky tempera-
ture for radiation calculations. It also outputs a number of indicators such as heating and cooling season,
monthly and annual maximum, minimum and average temperature.
There are various choices of built-in models in the TRNSYS library, particularly for PV module,
therefore. Type 94 is used for this study, as one the most popular kinds Eckstein 1990). This
component characterizes the electrical performance of a PV array. It may be applied in transient
simulations including electrical storage batteries, utility grid connections, and direct load coupling.

Figure 2. Schematic drawing of the PV-hydrogen system.

4 S. SHARIFIAN ET AL.

Type 94 is based on a calculation method proposed by Soto et al. (de Soto, Klein, and Beckman
2006). The model specifies power and current of the PV array at a determined voltage.
The controller model is implemented a set of functions which are demanded in integrated grid connected
solar system. In this model, the electrolyser is kept under the safe operation conditions and in a certain
power mode (Klein et al. 2006). Moreover, a power conditioning is defined to be in connection with
controller and electrolyser units. This model involves both converters (DC/DC) and invertors (DC/AC or
AC/DC) which can be implemented due to providing smooth and clean power for electrolyser system
(Sharifian and Harasek 2015).
The H2 storage unit is a compressed gas container. This model is based on calculation of total
pressure using van der Waals equation of state for a real gas.
The hydrogen storage component is a compressed gas storage model. The model calculates the
pressure in the storage based on van der Waals equation of state for real gases.
In order to simulation visualization, online plotter has been implemented to show graphically changing
of selected variables over the time steps while simulation is progressing. This plotter is very common tool in
transient simulation since it helps user for suitable probable respond if the system performance is not
desired.

PEM electrolyser model

Thermodynamics of water electrolysis
Water splitting into H2 and O2 can be performed using an electric current between two electrodes. These
electrodes are in connection via an aqueous electrolyte with the high ionic conductivity. Into this, a molecule
of hydrogen is generated in the cathode by decomposition of a molecule of water. Equation 1 describes this
procedure;
1
H2 OðlÞ þ 237:2kjmol1 ðelectricityÞ=48:6kjmol1 ðheatÞ ! H2 þ O2 (1)
2
The following assumptions can be made about the reaction:

● The liquid and gas phases are separated,

● Water is assumed to be an incompressible fluid,
● H2 and O2 behave as ideal gases.

At standard conditions (25ºC and 1 atm), Eq. (1) is a non-spontaneous reaction, which means that
the change in the Gibbs energy is positive.
ΔG ¼ ΔH þ TEl ΔS (2)
R. L. LeRoy (LeRoy, Bowen, and LeRoy 1980) describes the thermodynamics of water electrolysis.
The enthalpy and entropy of water splitting are expressed by:
ΔH ¼ ΔHH2 þ 0:5ΔHO2  ΔHw (3)

ΔS ¼ ΔSH2 þ 0:5ΔSO2  ΔSw (4)

ΔHi ¼ Cp;i ðT  T0 Þ þ ΔH0f;i i ¼ H2 ; O2 ; H2 O (5)

ΔSi ¼ Cp;i lnðT=T0 Þ  RlnðP=P0 Þ þ S0f;i i ¼ H2 ; O2 (6)

ΔSw ¼ Cp;w lnðT=T0 Þ þ S0f;w (7)

 ENERGY SOURCES, PART A: RECOVERY, UTILIZATION, AND ENVIRONMENTAL EFFECTS 5

For an electrochemical process reaction at constant pressure and temperature, the maximum
possible useful work is equal to the change in Gibbs energy. Faraday’s law relates the electrical
energy (emf) needed to split water to the rate of chemical conversion in molar quantities (Carmo
et al. 2013). The emf for a reversible electrochemical process, or the reversible cell voltage, is
expressed as follows:
ΔG
Urev ¼ (8)
ne F
where n is the number of moles of electrons transferred per mole of water, and F is Faraday
constant (F = 96485 Cmol−1). The thermoneutral voltage (Utn ) is the theoretical voltage for
hydrogen production, related to the total change in enthalpy (ΔH°) for splitting water by the
expression:
ΔH0
Utn ¼ (9)
ne F
Energy or thermal efficiency is based on changes in enthalpy when system works in thermoneutral
potential (Utn) and actual potential (E).
ΔH0
η¼ (10)
ΔH

Electrode kinetics
The proposed model is based on the relations of the electric cell voltage and current density
delivered by power supplier. In an electric cell, the real cell voltage is higher than the ideal open
circuit voltage. Thus, the voltage between anode and cathode can be expressed as follows:
E ¼ Urev þ ηactivation þ ηohmic (11)

where open circuit voltage (Urev ) is calculated using Nernst equation, which takes into account the
effect of temperature and concentration of components on the cell emf (Urev ):
RT P P0:5. 
Urev ¼ U0 þ ln H2 O2 PH O (12)
nF 2

U0 , is the value for open circuit voltage at standard pressure and temperature. The temperature-
dependent value of reversible cell voltage is given by (Harrison et al. 2005)

U0 ¼ 1:229  0:9  103 ðT  298Þ (13)

Activation overvoltage is changing of the electrode potential caused by overcoming the energy
barrier of the slowest step of the electrochemical reaction which can be described as the amount
of energy demand to begin the reaction. The Butler Volmer equation can describe the activation
overvoltage calculation (Dale, Mann, and Salehfar 2008; Harrison et al. 2005):
   
RT i RT i
ηactivation ¼ arc sinh þ arc sinh (14)
αan F 2i0;an αcat F 2i0;cat
Ohmic overvoltage is an ohmic voltage drop which is based on Ohm’s law. It is resulting from
resistance of protons and electrons conduction through the solid electrolyte. It is noticed that at the
constant activation overvoltage, the increasing in current density causes fast changes in ohmic
overvoltage, thus improvement in electrolyser performance is possible using low resistance electro-
lyte materials. The ohmic overpotential can be calculated as follows:
6 S. SHARIFIAN ET AL.

φm
ηo ¼ i (15)
σm
The material balances of H2 and O2 in a single cell are:
dNO2
¼ NO2 in  NO2 out þ NO2 gen ; cathode (16)
dt

dNH2
¼ NH2 in  NH2 out þ NH2 gen ; anode
dt
where NO2 and NH2 are the cathode and anode molar flow rates of hydrogen and oxygen inlet/outlet.
NH2gen and NO2gen are the molar flow rate of hydrogen and oxygen generated in anode and cathode side.
Water consumes in anode side due to produce oxygen and protons. At the other side, (cathode)
hydrogen is generated via protons reduction. Consumed water and produced components rates can
be calculated by Faraday’s law, as follows;
I
NH2 ;gen ¼ (17)
ne F

1
NH2 O;cons ¼ NH2; gen ¼ NO2 ;gen
2
The temperature of the electrolyser can be defined using simple or complex thermal models,
depending on the need for accuracy. A method to calculate the electrolyser’s temperature is to
assume a constant heat generation rate and heat transfer rates for a given time interval. If the time
steps are chosen sufficiently small, the result is a quasi-steady-state thermal mode (Eqs. 18–22).
dT
Ct ¼ Qgeneration þ Qloss þ Qcool (18)
dt

Qgeneration ¼ nc ðU  Utn ÞI (19)

1
Qloss ¼ ðT  T a Þ (20)
Rt

 
Qcool ¼ Cw Tw;in  Tw;out (21)

Δt  
T ¼ Tinitial þ Qgen  Qcool  Qloss (22)
Ct
TRNSYS can operate at certain user-defined time step and schedule. For this study, transient
behavior of a PEM water electrolysis system as a function of local weather information area
(Vienna) and dynamic variation of solar radiation and power supplier load are investigated. The
first day of January till the end of December (a year) is considered as the overall period of
investigation with the time interval of 1 h.
 ENERGY SOURCES, PART A: RECOVERY, UTILIZATION, AND ENVIRONMENTAL EFFECTS 7

45
43
41
39
37

V (volts)
35
33
31 Experiment
29
Calculated
27
25
0 0.5 1 1.5
Current density (A/cm2)

Figure 3. Calculated and experimental (Harrison et al., 2016) current-voltage characteristic curve for 20-cell PEM electrolyser.

Results and discussion

The performance of a PV-hydrogen production unit over various power loads, ambient condi-
tions and the contributions of overvoltage are investigated. A polarization curve demonstrates
voltages as a function of current density. Figure 3 demonstrates polarization curve, which is
stack predicted voltage versus current density; it shows a good agreement with the experiment
obtained from literature (Harrison et al. 2005). The model is further used to study the effect of
changing power input which is a result of the solar radiation changes itself on PEM water
electrolyser performance.
Table 1 demonstrates the main characteristics of a typical pilot scale PV-PEM system. Figure 4
illustrates the electrolyser’s temperature changing at different working times at the first day of
August and February according to regional weather information (Vienna, Austria). It can be seen
that the electrolyser works at much high temperatures in summer. This phenomenon occurs due to
high operating power consumed by electrolyser and high ambient temperature as well.
Figure 5 demonstrates changes in H2 outflow rate as the main product over the time in a whole
typical year in Vienna. Moreover, the outcomes represent the transient power conditions over year
according to the Vienna weather information which is gathered by Meteonorm Co. Obviously, from
March to the end of October, there is relatively more solar radiation and this would be enough for
the electrolyser to work by PV power directly without any auxiliary power equipment.
Figure 6 demonstrates energy or thermal efficiency of a PEM stack in a typical day of summer
and winter. It can be seen that in summer because of top system performance, high efficiency
value is achieved. Also, the high efficiency lasts for longer periods of time during the day (from
10 AM to 17 PM).

Table 1. Operation input parameters.

Photovoltaic Electrolyser (Harrison et al., 2005)
2 modules in series Contact area of membrane A = 86 cm2
12 modules in parallel Number of stacks in parallel per unit: 1
Slope of surface: 45° Number of cells in series per stack: 20
Exchange current density:
i0,an = 1.65e-18; i0,cat = 0.09
Number of cells wired in series: 72 Membrane thickness: φ = 178 μm
Volumetric flow rate of cooling water: 0.25 m3/hr
Module area: 10 m2 Temperature of inlet cooling water: 15ºC
Modules current at the maximum power: 35 A Cell conductivity: σ = 0.075 S/cm
Pressure = 7 bar
8 S. SHARIFIAN ET AL.

Figure 4. Electrolyser temperature changes versus time, (a) Vienna, August 1st (b) Vienna, February 1st.

0.90 140.00
Hydrogen daily mass flow rate average

Photovoltaic power daily avwrage kj/hr

0.80
120.00
0.70
100.00
0.60
Kmol/hr

0.50 80.00

0.40 60.00
0.30
40.00
0.20
20.00
0.10

0.00 0.00
Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec
Time (month)

Figure 5. Hydrogen mass flow rate based on power generated by PV as a function of a whole year, in Vienna, Austria.

100.00
Jan
90.00 Jul
Energy efficiency, %

80.00

70.00

60.00

50.00

40.00
0 2 4 6 8 10 12 14 16 18 20 22 24
Time, hr

Figure 6. Energy efficiency changes over a sample day in summer and winter.
 ENERGY SOURCES, PART A: RECOVERY, UTILIZATION, AND ENVIRONMENTAL EFFECTS 9

Conclusion
An environment friendly system of the water electrolyser contains a connection with renewable
energy sources. The study was based on a system including PV-PEM water electrolyser that captures
the dynamic behavior of electrolyser to daily variation. It will be more vital when the system is in
connection with a renewable energy supplier with fluctuating nature. In this study, ambient condi-
tion impacts on PEM electrolyser system based on Vienna weather average information was closely
demonstrated. It was clearly showed that a typical system might need an axillary power supply in
winter to meet electrolyser demands. This simulation can be implemented in basic engineering phase
to ensure reliability and feasibility of a system just before industrialization.

Nomenclature
Cp standard specific heat, J/K mol
ΔH change in enthalpy, J/mol
ΔHf° standard enthalpy of formation, J/mol
P pressure, bar
R universal constant of gases, J/K mol
T temperature, K
Sf° standard entropy of formation, J/mol
ΔS change in entropy, J/mol
α charge transfer coefficient
i0 exchange current density, A/cm2
i exchange current density, A/cm2
φm membrane thickness (μm)
σm membrane conductivity (Scmˉ1)
F faraday’s constant, 96,485 C
n molar flow rate of species, mol/s
I current, A
ne number of electron exchange in the reaction
nc cell numbers in series
Ta ambient temperature, ºC
Rt thermal resistance, KWˉ1
Ct eletrolyte heat capacity, JKˉ1
Q heat, W
Η energy efficiency
Utn Thermoneutral Potential, Volt
η Energy or thermal efficiency

Subscripts

i component index
w water index
an referring to anode
cat referring to cathode
a ambient
0 reference condition
cons consumed
gen generated
rev reversible

Acknowledgments
I would like to express my special thanks of gratitude to all of our company partners.
10 S. SHARIFIAN ET AL.

Funding
The project is funded by the program Research Studios Austria (RSA) within the “Energieforschungsinitiative” at the
Federal Ministry of Science, Research and Economy (BMWFJ). Additional financial contributions received by OMV .
I would like to express my special thanks of gratitude to all of our company partners.

ORCID
Seyedmehdi Sharifian http://orcid.org/0000-0002-0390-7252
Neda Asasian Kolur http://orcid.org/0000-0001-8676-480X
Michael Harasek http://orcid.org/0000-0002-6490-5840

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