Germany

LCAs of electric cars and electrolytic hydrogen production are governed by the consumption of electricity. Therefore LCA benchmarking is prone to choices on electricity data. There are four issues: (1) leading Life Cycle Impact (LCI) databases suffer from inconvenient uncertainties and inaccuracies (2) electricity mix in countries is rapidly changing year after year (3) the electricity mix is strongly fluctuating on an hourly and daily basis which requires time-based allocation approaches and (4) how to deal with nuclear power in benchmarking. This analysis shows that: (a) the differences of the GHG emissions of the country production mix in leading databases are rather high (30%) (b) in LCA a distinction must be made between bundled and unbundled registered electricity certificates (RECs) and guarantees of origin (GOs); the residual mix should not be applied in LCA because of its huge inaccuracy (c) time-based allocation rules for renewables are required to cope with periods of overproduction (d) benchmarking of electricity is highly affected by the choice of midpoints and/or endpoint systems and (e) there is an urgent need for a new LCI database based on measured emission data continuously kept up-to-date transparent and open access.

The Power-to-Gas (PtG) process chain could play a significant role in the future energy system. Renewable electric energy can be transformed into storable methane via electrolysis and subsequent methanation. This article compares the available electrolysis and methanation technologies with respect to the stringent requirements of the PtG chain such as low CAPEX high efficiency and high flexibility. Three water electrolysis technologies are considered: alkaline electrolysis PEM electrolysis and solid oxide electrolysis. Alkaline electrolysis is currently the cheapest technology; however in the future PEM electrolysis could be better suited for the PtG process chain. Solid oxide electrolysis could also be an option in future especially if heat sources are available. Several different reactor concepts can be used for the methanation reaction. For catalytic methanation typically fixed-bed reactors are used; however novel reactor concepts such as three-phase methanation and micro reactors are currently under development. Another approach is the biochemical conversion. The bioprocess takes place in aqueous solutions and close to ambient temperatures. Finally the whole process chain is discussed. Critical aspects of the PtG process are the availability of CO2 sources the dynamic behaviour of the individual process steps and especially the economics as well as the efficiency.

Green hydrogen for mobility represents an alternative to conventional fuel to decarbonize the transportation sector. Nevertheless the thermodynamic properties make the transport and the storage of this energy carrier at standard conditions inefficient. Therefore this study deploys a georeferenced optimal transport infrastructure for four base case scenarios in France and Germany that differs by production distribution based on wind power potential and demand capacities for the mobility sector at different penetration shares for 2030 and 2050. The restrained transport network to the road infrastructure allows focusing on the optimum combination of trucks operating at different states of aggregations and storage technologies and its impact on the annual cost and hydrogen flow using linear programming. Furthermore four other scenarios with production cost investigate the impact of upstream supply chain cost and eight scenarios with daily transport and storage optimization analyse the modeling method sensitivity. The results show that compressed hydrogen gas at a high presser level around 500 bar was on average a better option. However at an early stage of hydrogen fuel penetration substituting compressed gas at low to medium pressure levels by liquid organic hydrogen carrier minimizes the transport and storage costs. Finally in France hydrogen production matches population distribution in contrast to Germany which suffers from supply and demand disparity.

Since the addition of Al to high-Mn steels is known to reduce their sensitivity to hydrogen-induced delayed fracture we investigate possible trapping effects connected to the presence of Al in the grain interior employing density-functional theory (DFT). The role of Al-based precipitates is also investigated to understand the relevance of short-range ordering effects. So-called E21-Fe3AlC κ-carbides are frequently observed in Fe-Mn-Al-C alloys. Since H tends to occupy the same positions as C in these precipitates the interaction and competition between both interstitials is also investigated via DFT-based simulations. While the individual H–H/C–H chemical interactions are generally repulsive the tendency of interstitials to increase the lattice parameter can yield a net increase of the trapping capability. An increased Mn content is shown to enhance H trapping due to attractive short-range interactions. Favorable short-range ordering is expected to occur at the interface between an Fe matrix and the E21-Fe3AlC κ-carbides which is identified as a particularly attractive trapping site for H. At the same time accumulation of H at sites of this type is observed to yield decohesion of this interface thereby promoting fracture formation. The interplay of these effects evident in the trapping energies at various locations and dependent on the H concentration can be expressed mathematically resulting in a term that describes the hydrogen embrittlement

We have designed a new method for electrochemical hydrogen charging which allows us to charge very thin coarse-grained specimens from the bottom and perform nanomechanical testing on the top. As the average grain diameter is larger than the thickness of the sample this setup allows us to efficiently evaluate the mechanical properties of multiple single crystals with similar electrochemical conditions. Another important advantage is that the top surface is not affected by corrosion by the electrolyte. The nanoindentation results show that hydrogen reduces the activation energy for homogenous dislocation nucleation by approximately 15–20% in a (001) grain. The elastic modulus also was observed to be reduced by the same amount. The hardness increased by approximately 4% as determined by load-displacement curves and residual imprint analysis.

Current developments of non-relativistic quantum mechanics appear to predict and reveal counter-intuitive dynamical effects of hydrogen in nanostructured materials that are of considerable importance for basic research as well as for technological applications. In this review the experimental focus is on H₂O and H molecules in carbon nanotubes and other nanocavities that have been experimentally investigated using the well-established technique of incoherent inelastic neutron scattering (INS). For instance the momentum and energy transfers as obtained from the commonly used standard data analysis techniques from a

(I) H₂ molecule in a C-nanotube resulting in a roto-translational motion along the nanotube axis seems to (1) either violate the standard conservation laws or (2) to attribute to the H molecule undergoing translation the effective mass a.m.u. (atomic mass units) instead of the expected 2 a.m.u. A similar striking anomalous effect has been found in the neutron-H scattering from the

(II) H₂O molecules in nano-channels of some solid materials in which O-H stretching vibrations along the channel axis are created.

The results of this scattering process seem to once again either violate the standard conservation laws or to attribute to the effective mass of the struck H₂ molecule as a.m.u. instead of the expected value of 1 a.m.u. We show that these counterintuitive observations from the INS studies have no conventional interpretation within the standard non-relativistic scattering theory. However they can be qualitatively interpreted “from first principles” within the framework of modern theories of

(III) time-symmetric quantum dynamics as provided by the weak values (WV) and two-state- vector formalism (TSVF)

and/or

(IV) quantum correlations especially quantum discord (QD) and quantum thermodynamics (QTD).

The theoretical analysis provides an intuitive understanding of the experimental results gives strong evidence that the nano-structured cavities do represent quantum systems which participate significantly in the dynamics of the neutron-H scattering and surprisingly shows that new physical information can be derived from the experimental data. This latter point may also have far-reaching consequences for technology and material sciences (e.g. fuel cells H storage materials etc.). Moreover novel insights into the short-lived quantum dynamics and/or quantum information theory can be gained.

The conversion of H2 and CO2 to liquid fuels via Power-to-Liquid (PtL) processes is gaining attention. With their higher energy densities compared to gases the use of synthetic liquid fuels is particularly interesting in hard-to-abate sectors for which decarbonisation is difficult. However PtL poses new challenges for the synthesis: away from syngas-based continuously run large-scale plants towards more flexible small-scale concepts with direct CO2-utilisation. This review provides an overview of state of the art synthesis technologies as well as current developments and pilot plants for the most prominent PtL routes for methanol DME and Fischer–Tropsch-fuels. It should serve as a benchmark for future concepts guide researchers in their process development and allow a technological evaluation of alternative reactor designs. In the case of power-to-methanol and power-to-FT-fuels several pilot plants have been realised and the first commercial scale plants are planned or already in operation. In comparison power-to-DME is much less investigated and in an earlier stage of development. For methanol the direct CO2 hydrogenation offers advantages through less by-product formation and lower heat development. However increased water formation and lower equilibrium conversion necessitate new catalysts and reactor designs. While DME synthesis offers benefits with regards to energy efficiency operational experience from laboratory tests and pilot plants is still missing. Furthermore four major process routes for power-to-DME are possible requiring additional research to determine the optimal concept. In the case of Fischer–Tropsch synthesis catalysts for direct CO2 utilisation are still in an early stage. Consequently today’s Fischer–Tropsch-based PtL requires a shift to syngas benefiting from advances in co-electrolysis and reverse water-gas shift reactor design.

The glass industry is part of the energy-intensive industry posing a major challenge to fulfill the CO₂ reduction targets of the Paris Climate Agreement. The segments of the glass industry e.g. container or flat glass are quite diverse and attribute to different glass products with different requirements to product quality and various process options. To address the challenge of decarbonizing the glass industry firstly an inventory of current glass products processes and applied technologies in terms of energy efficiency and CO₂ emissions is conducted. Secondly decarbonization options are identified and structured according to fuel substitution waste heat recovery and process intensification. Due to the high share of energy-related CO₂ emissions electrical melting and hydrogen combustion or a combination of both are the most promising options to decarbonize the glass industry but further research design adjustments and process improvements are necessary. Furthermore electricity and hydrogen prices have to decrease or fossil fuels must become more expensive to be cost-competitive relative to fossil fuels and respective infrastructures have to be constructed or adjusted. Various heat recovery options have great potential for CO₂ savings but can be technically challenging or have not yet been considered for techno-economic reasons.

Liquid organic hydrogen carriers (LOHC) store hydrogen by reversible hydrogenation of a carrier material. Water can enter the system via wet hydrogen coming from electrolysis as well as via moisture on the catalyst. Removing this water is important for reliable operation of the LOHC system. Different approaches for doing this have been evaluated on three stages of the process. Drying of the hydrogen before entering the LOHC system itself is preferable. A membrane drying process turns out to be the most efficient way. If the water content in the LOHC system is still so high that liquid–liquid demixing occurs it is crucial for water removal to enhance the slow settling. Introduction of an appropriate packing can help to separate the two phases as long as the volume flow is not too high. Further drying below the rather low solubility limit is challenging. Introduction of zeolites into the system is a possible option. Water adsorbs on the surface of the zeolite and moisture content is therefore decreased.

The chemical and petrochemical sector relies on fossil fuels and feedstocks and is a major source of carbon dioxide (CO2 ) emissions. The techno-economic potential of 20 decarbonisation options is assessed. While previous analyses focus on the production processes this analysis covers the full product life cycle CO2 emissions. The analysis elaborates the carbon accounting complexity that results from the non-energy use of fossil fuels and highlights the importance of strategies that consider the carbon stored in synthetic organic products—an aspect that warrants more attention in long-term energy scenarios and strategies. Average mitigation costs in the sector would amount to 64 United States dollars (USD) per tonne of CO2 for full decarbonisation in 2050. The rapidly declining renewables cost is one main cause for this low-cost estimate. Renewable energy supply solutions in combination with electrification account for 40% of total emissions reductions. Annual biomass use grows to 1.3 gigatonnes; green hydrogen electrolyser capacity grows to 2435 gigawatts and recycling rates increase six-fold while product demand is reduced by a third compared to the reference case. CO2 capture storage and use equals 30% of the total decarbonisation effort (1.49 gigatonnes per year) where about one-third of the captured CO2 is of biogenic origin. Circular economy concepts including recycling account for 16% while energy efficiency accounts for 12% of the decarbonisation needed. Achieving full decarbonisation in this sector will increase energy and feedstock costs by more than 35%. The analysis shows the importance of renewables-based solutions accounting for more than half of the total emissions reduction potential which was higher than previous estimates.