Publications

Decarbonization plays an important role in future energy systems for reducing greenhouse gas emissions and establishing a zero-carbon society. Hydrogen is believed to be a promising secondary energy source (energy carrier) that can be converted stored and utilized efficiently leading to a broad range of possibilities for future applications. Moreover hydrogen and electricity are mutually converted creating high energy security and broad economic opportunities toward high energy resilience. Hydrogen can be stored in various forms including compressed gas liquid hydrogen hydrides adsorbed hydrogen and reformed fuels. Among these liquid hydrogen has advantages including high gravimetric and volumetric hydrogen densities and hydrogen purity. However liquid hydrogen is garnering increasing attention owing to the demand for long storage periods long transportation distances and economic performance. This paper reviews the characteristics of liquid hydrogen liquefaction technology storage and transportation methods and safety standards to handle liquid hydrogen. The main challenges in utilizing liquid hydrogen are its extremely low temperature and ortho- to para-hydrogen conversion. These two characteristics have led to the urgent development of hydrogen liquefaction storage and transportation. In addition safety standards for handling liquid hydrogen must be updated regularly especially to facilitate massive and large-scale hydrogen liquefaction storage and transportation.

A steam methane reforming reactor is a key equipment in hydrogen production and numerical analysis and process control can provide a critical insight into its reforming mechanisms and flexible operation in real engineering applications. The present paper firstly studies the transport phenomena in an industrial-scale steam methane reforming reactor by transient numerical simulations. Wall effect and local non thermal equilibrium is considered in the simulations. A temperature profile of the tube outer wall is given by user defined functions integrated into the ANSYS FLUENT software. Dynamic simulations show that the species distribution is closely related to the temperature distribution which makes the temperature of the reactor tube wall an important factor for the hydrogen production of the reformer and the thermal conductivity of the catalyst network is crucial in the heat transfer in the reactor. Besides there exists a delay of the reformer's hydrogen production when the temperature profile of the tube wall changes. Among inlet temperature inlet mass flow rate and inlet steam-to-carbon (S/C) ratio the mass flow rate is the most influencing factor for the hydrogen production. The dynamic matrix control (DMC) scheme is subsequently designed to manipulate the mole fraction of hydrogen of the outlet to the target value by setting the temperature profile trajectory of the reforming tube with time. The proportional-integral control strategy is also studied for comparison. The closed-loop simulation results show that the proposed DMC control strategy can reduce the overshoot and have a small change of the input variable. In addition the disturbances of feed disturbance can also be well rejected to assure the tracking performance indicating the superiority of the DMC controller. All the results give insight to the theoretical analysis and controller design of a steam methane reformer and demonstrate the potential of the CFD modeling in study the transport mechanism and the idea of combining CFD modelling with controller design for the real application.

The Pd-H system has attracted extensive attention. Pd can absorb considerable amount of H at room temperature this ability is reversible so it is suitable for multiple energy applications. Pd-Ag alloys possess higher H permeability solubility and narrower miscibility gap with better mechanical properties than pure Pd but sulfur poisoning remains an issue. Pd-Cu alloys have excellent resistance to sulfur and carbon monoxide poisoning and hydrogen embrittlement good mechanical properties and broader temperature working environments over pure Pd but relatively lower hydrogen permeability and solubility than pure Pd and Pd-Ag alloys. This suggests that alloying Pd with Ag and Cu to create Pd-Ag-Cu ternary alloys can optimize the overall performance and substantially lowers the cost. Thus in this paper we provide the first embedded atom method potentials for the quaternary hydrides Pd_1-y-zAgyCu_zH_x. The fully analytical potentials are fitted utilizing the central atom method without performing time-consuming molecular dynamics simulations.

More effective energy production requires a greater penetration of storage technologies. This paper takes a looks at and compares the landscape of energy storage devices. Solutions across four categories of storage namely: mechanical chemical electromagnetic and thermal storage are compared on the basis of energy/power density specific energy/power efficiency lifespan cycle life self-discharge rates capital energy/power costs scale application technical maturity as well as environmental impact. It’s noted that virtually every storage technology is seeing improvements. This paper provides an overview of some of the problems with existing storage systems and identifies some key technologies that hold promise.

We demonstrate a new approach for producing highly dispersed supported metal phosphide powders with small particle size improved stability and increased electrocatalytic activity towards some useful reactions. The approach involves a one-step conversion of metal supported on high surface area carbon to the metal phosphide utilising a very simple and scalable synthetic process. We use this approach to produce PdP₂ and Pd₅P₂ particles dispersed on carbon with a particle size of 4.5–5.5 nm by converting a commercially available Pd/C powder. The metal phosphide catalysts were tested for the oxygen reduction hydrogen oxidation and evolution and formic acid oxidation reactions. Compared to the unconverted Pd/C material we find that alloying the P at different levels shifts oxide formation on the Pd to higher potentials leading to greater stability during cycling studies (20% more ECSA retained 5k cycles) and in thermal treatment under air. Hydrogen absorption within the PdP₂ and Pd₅P₂ particles is enhanced. The phosphides compare favourably to the most active catalysts reported to date for formic acid oxidation especially PdP₂ and there is a significant decrease in poisoning of the surface compared to Pd alone. The mechanistic changes in the reactions studied are rationalised in terms of increased water activation on the surface phosphorus atoms of the catalyst. One of the catalysts PdP₂/C is tested in a fuel cell as anode and cathode catalyst and shows good performance.

Hydrogen as the energy carrier of the future’ has been a topic discussed for decades and is today the subject of a new revival especially driven by the investments in renewable electricity and the technological efforts done by high-developed industrial powers such as Northern Europe and Japan. Although hydrogen production from renewable resources is still limited to small scale local solutions and R&D projects; steam reforming (SR) of natural gas at industrial scale is the cheapest and most used technology and generates around 8 kg CO2 per kg H2. This paper is focused on the process optimization and decarbonization of H2 production from fossil fuels to promote more efficient approaches based on membrane separation. In this work two emerging configurations have been compared from the numerical point of view: the membrane reactor (MR) and the reformer and membrane module (RMM) proposed and tested by this research group. The rate of hydrogen production by SR has been calculated according to other literature works a one-dimensional model has been developed for mass heat and momentum balances. For the membrane modules the rate of hydrogen permeation has been estimated according to mass transfer correlation previously reported by this research group and based on previous experimental tests carried on in the first RMM Pilot Plant. The methane conversion carbon dioxide yield temperature and pressure profile are compared for each configuration: SR MR and RMM. By decoupling the reaction and separation section such as in the RMM the overall methane conversion can be increased of about 30% improving the efficiency of the system.

The unbridled use of fossil fuels is a serious problem that has become increasingly evident over the years. As such fuels contribute considerably to environmental pollution there is a need to find new sustainable sources of energy with low emissions of greenhouse gases. Climate change poses a substantial challenge for the scientific community. Thus the use of renewable energy through technologies that offer maximum efficiency with minimal pollution and carbon emissions has become a major goal. Technology related to the use of hydrogen as a fuel is one of the most promising solutions for future systems of clean energy. The aim of the present review was to provide an overview of elements related to the potential use of hydrogen as an alternative energy source considering its specific chemical and physical characteristics as well as prospects for an increase in the participation of hydrogen fuel in the world energy matrix.

There is a great deal of knowledge and experience on the safe handling of hydrogen and the safe operation and management of hydrogen systems in South Africa. This knowledge and experience mostly sits within large gas supply companies and other large producers and consumers of hydrogen. However there appears to be less experience leading to a level of discomfort within regulatory bodies such as provincial and municipal fire departments and the national standards association. This compounded by a national policy of disallowing gas cylinders indoors has resulted in delays and indeed stalling in the process of obtaining permission to operate laboratories such as those of the national hydrogen programme HySA. In an effort to break this impasse two workshops were organised by HySA. The first was held at the CSIR’s facilities in Pretoria in October 2016. The second was held at the campus of the University of the Western Cape in Cape Town in May 2018. Four international experts and local experts in hydrogen regulations codes standards and safety addressed the 50-strong South African audiences via 5-way videoconferencing. This proved to be a very powerful tool to educate the audience and in particular the Tshwane (Pretoria) and Western Cape Fire Departments on the real issues risks and safety of hydrogen. The paper describes the South African Hydrogen RCS landscape the organisation and running of the workshops and the outputs achieved.

The safest way to store hydrogen is in solid form physically entrapped in molecular form in highly porous materials or chemically bound in atomic form in hydrides. Among the different families of these compounds alkaline and alkaline earth metals alumino-hydrides (alanates) have been regarded as promising storing media and have been extensively studied since 1997 when Bogdanovic and Schwickardi reported that Ti-doped sodium alanate could be reversibly dehydrogenated under moderate conditions. In this review the preparative methods; the crystal structure; the physico-chemical and hydrogen absorption-desorption properties of the alanates of Li Na K Ca Mg Y Eu and Sr; and of some of the most interesting multi-cation alanates will be summarized and discussed. The most promising alanate-based reactive hydride composite (RHC) systems developed in the last few years will also be described and commented on concerning their hydrogen absorption and desorption performance.

Hydrogen is a zero-carbon footprint energy source with high energy density that could be the basis of future energy systems. Membrane-based water electrolysis is one means by which to produce high-purity and sustainable hydrogen. It is important that the scientific community focus on developing electrolytic hydrogen systems which match available energy sources. In this review various types of water splitting technologies and membrane selection for electrolyzers are discussed. We highlight the basic principles recent studies and achievements in membrane-based electrolysis for hydrogen production. Previously the NafionTM membrane was the gold standard for PEM electrolyzers but today cheaper and more effective membranes are favored. In this paper CuCl–HCl electrolysis and its operating parameters are summarized. Additionally a summary is presented of hydrogen production by water splitting including a discussion of the advantages disadvantages and efficiencies of the relevant technologies. Nonetheless the development of cost-effective and efficient hydrogen production technologies requires a significant amount of study especially in terms of optimizing the operation parameters affecting the hydrogen output. Therefore herein we address the challenges prospects and future trends in this field of research and make critical suggestions regarding the implementation of comprehensive membrane-based electrolytic systems.