Germany

Gas systems can provide considerable flexibility in integrated energy systems to accommodate hydrogen produced from Power-to-Hydrogen units using excess volatile renewable energy generation. To use the flexibility in integrated energy systems while ensuring a secure and reliable system operation gas system operators need to accurately and easily analyze the effects of varying hydrogen levels on the dynamic gas behavior and vice versa. Existing methods for hydrogen tracking however either solve the hydrogen propagation and dynamic gas behavior separately or must cope with a large inaccuracy. Hence existing methods do not allow an accurate and coupled analysis of gas systems in integrated energy systems considering varying hydrogen levels. This paper proposes a calorific-value-gradient method which can accurately track the propagation of varying hydrogen levels in a gas system even with large simulation time increments of up to one hour. The new method is joined and simultaneously solved with an implicit finite difference scheme describing the transient gas behavior in a single equation system in a coupled Newton–Raphson gas flow calculation. As larger simulation time increments can be chosen without reducing the accuracy the computation time can be strongly reduced compared to existing Euler-based methods. With its high accuracy and its coupled approach this paper provides gas system operators a method to accurately analyze how the propagation of hydrogen affects the entire gas system. With its coupled approach the presented method can enhance the investigation of integrated energy systems as the transient gas behavior and varying hydrogen propagation of the gas system can be easily included in such analyses.

Burning hydrogen emits thermal radiation in UV NIR and IR spectral range. Especially in the case of large cloud explosion the risk of heat radiation is commonly underestimated due to the non-visible flame of hydrogen-air combustion. In the case of a real explosion accident organic substances or inert dust might be entrained from outer sources to produce soot or heated solids to substantially increase the heat release by continuum radiation. To investigate the corresponding combustion phenomena different hydrogen-air mixtures were ignited in a closed vessel and the combustion was observed with fast scanning spectrometers using a sampling rate up to 1000 spectra/s. In some experiments to take into account the influence of organic co-combustion a spray of a liquid glycol-ester and milk powder was added to the mixture. The spectra evaluation uses the BAM code of ICT to model bands of reaction products and thus to get the temperatures. The code calculates NIR/IR-spectra (1 - 10 μm) of non-homogenous gas mixtures of H2O CO2 CO NO and HCl taking into consideration also emission of soot particles. It is based on a single line group model and makes also use of tabulated data of H2O and CO2 and a Least Squares Fit of calculated spectra to experimental ones enables the estimation of flame temperatures. During hydrogen combustion OH emits an intense spectrum at 306 nm. This intermediary radical allows monitoring the reaction progress. Intense water band systems between 1.2 and 3 μm emit remarkable amounts of heat radiation according to a measured flame temperature of 2000 K. At this temperature broad optically-thick water bands between 4.5 μm and 10 μm contribute only scarcely to the total heat output. In case of co-combustion of organic materials additional emission bands of CO and CO2 as well as a continuum radiation of soot and other particles occur and particularly increase the total thermal output drastically.

Hydrogen embrittlement which severely affects structural materials such as steel comprises several mechanisms at the atomic level. One of them is hydrogen enhanced decohesion (HEDE) the phenomenon of H accumulation between cleavage planes where it reduces the interplanar cohesion. Grain boundaries are expected to play a significant role for HEDE since they act as trapping sites for hydrogen. To elucidate this mechanism we present the results of first-principles studies of the H effect on the cohesive strength of α-Fe single crystal (001) and (111) cleavage planes as well as on the Σ5(310)[001] and Σ3(112)[11¯0] symmetrical tilt grain boundaries. The calculated results show that within the studied range of concentrations the single crystal cleavage planes are much more sensitive to a change in H concentration than the grain boundaries. Since there are two main types of procedures to perform ab initio tensile tests different in whether or not to allow the relaxation of atomic positions which can affect the quantitative and qualitative results these methods are revisited to determine their effect on the predicted cohesive strength of segregated interfaces

The growing attention being paid by car manufacturers and the general public to hydrogen as a middle and long term energy carrier for automotive purpose is giving rise to lively discussions on the advantages and disadvantages of this technology – also with respect to safety. In this connection the focus is increasingly and justifiably so on the possibilities offered by a probabilistic approach to loads and component characteristics: a lower weight obliged with a higher safety level basics for an open minded risk communication the possibility of a provident risk management the conservation of resources and a better and not misleading understanding of deterministic results. But in the case of adequate measures of standards or regulations completion there is a high potential of additional degrees of freedom for the designers obliged with a further increasing safety level. For this purpose what follows deals briefly with the terminological basis and the aspects of acceptance control conservation of resources misinterpretation of deterministic results and the application of regulations/standards.<br/>This leads into the initial steps of standards improvement which can be taken with relatively simple means in the direction of comprehensively risk-oriented protection goal specifications. By this it’s not focused on to provide to much technical details. It’s focused on the context of different views on probabilistic risk assessment. As main result some aspects of the motivation and necessity for the currently running pre-normative research studies within the 6th frame-work program of the EU will be shown.

Hydrogen technology requires efficient and safe hydrogen storage systems. For this purpose storage in solid materials such as high capacity complex hydrides is studied intensely. Independent from the actual material to be used eventually any tank design will combine nanoscale powders of highly reactive material with pressurized hydrogen gas and so far little is known about the behaviour of these mixtures in case of incidents. For a first evaluation of a complex hydride in case of a tank failure NaAlH4 (doped with Ti) was investigated in a small scale tank failure tests. 80-100 ml of the material were filled into a heat exchanger tube and sealed under argon atmosphere with a burst disk. Subsequently the NaAlH4 was partially desorbed by heating. When the powder temperature reached 130 °C and the burst disk ruptured at 9 bar hydrogen overpressure the behaviour of the expelled powder was monitored using a high speed camera an IR camera as well as sound level meters. Expulsion of the hydrogen storage material into (dry) ambient atmosphere yields a dust cloud of finely dispersed powder which does not ignite spontaneously. Similar experiments including an external source of ignition (spark / water reacting with NaAlH4) yield a flame of reacting powder. The intensity will be compared to the reaction of an equivalent amount of pure hydrogen.

This paper presents a compilation of the results supplied by HySafe partners participating in the Standard Benchmark Exercise Problem (SBEP) V2 which is based on an experiment on hydrogen combustion that is first described. A list of the results requested from participants is also included. The main characteristics of the models used for the calculations are compared in a very succinct way by using tables. The comparison between results together with the experimental data when available is made through a series of graphs. The results show quite good agreement with the experimental data. The calculations have demonstrated to be sensitive to computational domain size and far field boundary condition.

Climate change is one of today’s most pressing global challenges. Since the emission of greenhouse gases is often closely related to the use and supply of energy the goal to avoid emissions requires a fundamental restructuring of the energy system including all parts of the technology chains from production to end-use. Natural gas is today one of the most important primary energy sources in Europe with utilization ranging from power generation and industry to appliances in the residential and commercial sector as well as mobility. As natural gas is a fossil fuel gas utilization is thus responsible for significant emissions of carbon dioxide (CO₂ ) a greenhouse gas. However the transformation of the gas sector with its broad variety of technologies and end-use applications is a challenge as a fuel switch is related to changing physical properties. Today the residential and commercial sector is the biggest end user sector for natural gas in the EU both in terms of consumption and in the number of installed appliances. Natural gas is used to provide space heating as well as hot water and is used in cooking and catering appliances with in total about 200 million gas-fired residential and commercial end user appliances installed. More than 40 % of the EU gas consumption is accounted for by the residential and commercial sector. The most promising substitutes for natural gas are biogases and hydrogen. The carbon-free fuel gas hydrogen may be produced e.g. from water and renewable electricity; therefore it can be produced with a greatly lowered carbon footprint and on a very large scale. As a gaseous fuel it can be transported stored and utilised in all end-use sectors that are served by natural gas today: Power plants industry commercial appliances households and mobility. Technologies and materials however need to be suitable for the new fuel. The injection of hydrogen into existing gas distribution for example will impact all gas-using equipment in the grids since these devices are designed and optimized to operate safely efficiently and with low pollutant emissions with natural gas as fuel. The THyGA project1 focusses on all technical aspects and the regulatory framework concerning the potential operation of domestic and commercial end user appliances with hydrogen  / natural gas blends. The THyGA deliverables start with theoretical background from material science (D2.4) and combustion theory (this report) and extend to the project’s experimental campaign on hydrogen tolerance tests as well as reports on the status quo and potential future developments on rules and standards as well as mitigation strategies for coping with high levels of hydrogen admixture. By this approach the project aims at investigating which levels of hydrogen blending impact the various appliance technologies to which extent and to identify the regime in which a safe efficient and low-polluting operation is possible. As this is in many ways a question of combustion this report focuses on theoretical considerations about the impact of hydrogen admixture on combustion processes. The effects of hydrogen admixture on main gas quality properties as well as combustion temperatures laminar combustion velocities pollutant formation (CO NOx) safety-related aspects and the impact of combustion control are discussed. This overview provides a basis for subsequent steps of the project e.g. for establishing the testing program. A profound understanding of the impact on hydrogen on natural gas combustion is also essential for the development of mitigation strategies to reduce potential negative consequences of hydrogen admixture on appliances.

This is part one. Part two of this project can be found at this link

A new testing device for cyclic loading of specimens with a novel shape design is presented. The device was applied for investigations of fatigue of metallic specimens under pressurized hydrogen up to 300 bar at temperatures up to 200 °C. Main advantage of the specimen design is the very small amount of medium here hydrogen used for testing. This allows experiments with hazardous substances at lower safety level. Additionally no gasket for the load transmission is required. Woehler curves which show the influence of hydrogen on the fatigue behaviour of austenitic steel specimens at relevant service conditions in hydrogen powered engines are presented. Material and test conditions are in agreement with the cooperating industry.

This paper presents a compilation and discussion of the results supplied by HySafe partners participating in the Standard Benchmark Exercise Problem (SBEP) V1 which is based on an experiment on hydrogen release mixing and distribution inside a vessel. Each partner has his own point of view of the problem and uses a different approach to the solution. The main characteristics of the models employed for the calculations are compared. The comparison between results together with the experimental data when available is made. Relative deviations of each model from the experimental values are also included. Explanations and interpretations of the results are presented together with some useful conclusions for future work.

To provide more practical data for safety assessments a systematic study of explosion and combustion processes which can take place in mixtures produced by jet releases in realistic environmental conditions is required. The presented work is aimed to make step forward in this direction binding three inter-connected tasks: (i) study of horizontal and vertical jets (ii) study of the burnable clouds formed by jets in different geometry configurations and (iii) examination of combustion and explosion processes initiated in such mixtures. Test matrix for the jet experiments included variation of the release pressure and nozzle diameter with the aim to study details of the resulting hydrogen concentration and velocity profiles depending on the release conditions. In this study the following parameters were varied: mass flow rate jet nozzle diameter (to alter gas speed) and geometry of the hood located on top of the jet. The carried out experiments provided data on detailed structure for under-expanded horizontal and buoyant vertical jets and data on pressure loads resulted from deflagration of various mixtures formed by jet releases. The data on pressures waves generated in the conditions under consideration provides conservative estimation of pressure loads for realistic leaks.

The detection of hydrogen after its accidental release is not only important for research purposes but will be much more important under safety aspects for future applications when hydrogen should be a standard energy resource. At Fraunhofer ICT two principally different approaches were made: first the new optical background-oriented schlieren method (BOS) is used for the visualization of hydrogen distribution and mixing processes at a rate of up to 1000 frames per second. The results from experiments with small scale injection of hydrogen/air–mixtures into air flows and free jets of hydrogen and hydrogen/air–mixtures emerging from 1” hoses simulating exhaust pipes will be discussed and interpreted with support from selected high speed videos. Finally mixing zones and safety distances can be determined by this powerful method.

The paper presents the results of the CFD inter-comparison exercise SBEP-V3 performed within the activity InsHyde internal project of the HYSAFE network of excellence in the framework of evaluating the capability of various CFD tools and modelling approaches in predicting the physical phenomena associated to the short and long term mixing and distribution of hydrogen releases in confined spaces. The experiment simulated was INERIS-TEST-6C performed within the InsHyde project by INERIS consisting of a 1 g/s vertical hydrogen release for 240 s from an orifice of 20 mm diameter into a rectangular room (garage) of dimensions 3.78x7.2x2.88 m in width length and height respectively. Two small openings at the front and bottom side of the room assured constant pressure conditions. During the test hydrogen concentration time histories were measured at 12 positions in the room for a period up to 5160 s after the end of release covering both the release and the subsequent diffusion phases. The benchmark was organized in two phases. The first phase consisted of blind simulations performed prior to the execution of the tests. The second phase consisted of post calculations performed after the tests were concluded and the experimental results made available. The participation in the benchmark was high: 12 different organizations (2 non-HYSAFE partners) 10 different CFD codes and 8 different turbulence models. Large variation in predicted results was found in the first phase of the benchmark between the various modelling approaches. This was attributed mainly to differences in turbulence models and numerical accuracy options (time/space resolution and discretization schemes). During the second phase of the benchmark the variation between predicted results was reduced.

Simulation of hydrogen-air mixture explosions in a closed large-scale vessel with uniform and nonuniform mixture compositions was performed by the group of partners within the EC funded project “Hydrogen Safety as an Energy Carrier” (HySafe). Several experiments were conducted previously by Whitehouse et al. in a 10.7 m3 vertically oriented (5.7-m high) cylindrical facility with different hydrogen-air mixture compositions. Two particular experiments were selected for simulation and comparison as a Standard Benchmark Exercise (SBEP) problem: combustion of uniform 12.8% (vol.) hydrogen-air mixture and combustion of non-uniform hydrogen-air mixture with average 12.6% (vol.) hydrogen concentration across the vessel (vertical stratification 27% vol. hydrogen at the top of the vessel 2.5% vol. hydrogen at the bottom of the vessel); both mixtures were ignited at the top of the vessel. The paper presents modelling approaches used by the partners comparison of simulation results against the experiment data and conclusions regarding the non-uniform mixture combustion modelling in real-life applications.

The largest known experiment on hydrogen-air deflagration in the open atmosphere has been analysed by means of the large eddy simulation (LES). The combustion model is based on the progress variable equation to simulate a premixed flame front propagation and the gradient method to decouple the physical combustion rate from numerical peculiarities. The hydrodynamic instability has been partially resolved by LES and unresolved effects have been modelled by Yakhot's turbulent premixed combustion model. The main contributor to high flame propagation velocity is the additional turbulence generated by the flame front itself. It has been modelled based on the maximum flame wrinkling factor predicted by Karlovitz et al. theory and the transitional distance reported by Gostintsev with colleagues. Simulations are in a good agreement with experimental data on flame propagation dynamics flame shape and outgoing pressure wave peaks and structure. The model is built from the first principles and no adjustable parameters were applied to get agreement with the experiment.

Hydrogen has the potential to be used by many countries as part of decarbonising the future energy system. Hydrogen can be used as a fuel ‘vector’ to store and transport energy produced in low-carbon ways. This could be particularly important in applications such as heating and transport where other solutions for low and zero carbon emission are difficult. To enable the safe uptake of hydrogen technologies it is important to develop the international scientific evidence base on the potential risks to safety and how to control them effectively. The International Association for Hydrogen Safety (known as IA HySAFE) is leading global efforts to ensure this. HSE hosted the 2018 IA HySAFE Biennial Research Priorities Workshop. A panel of international experts presented during nine key topic sessions: (1) Industrial and National Programmes; (2) Applications; (3) Storage; (4) Accident Physics – Gas Phase; (5) Accident Physics – Liquid/ Cryogenic Behaviour; (6) Materials; (7) Mitigation Sensors Hazard Prevention and Risk Reduction; (8) Integrated Tools for Hazard and Risk Assessment; (9) General Aspects of Safety.<br/>This report gives an overview of each topic made by the session chairperson. It also gives further analysis of the totality of the evidence presented. The workshop outputs are shaping international activities on hydrogen safety. They are helping key stakeholders to identify gaps in knowledge and expertise and to understand and plan for potential safety challenges associated with the global expansion of hydrogen in the energy system.

Safe and long term operation of nuclear reactors is one of the most discussed challenges in nuclear power engineering. The radiation degradation of nuclear design materials limits the operational lifetime of all nuclear installations or at least decreases its safety margin. This paper is a review of experimental PALS/PLEPS studies of different nuclear reactor pressure vessel (RPV) steels investigated over last twenty years in our laboratories. Positron annihilation lifetime spectroscopy (PALS) via its characteristics (lifetimes of positrons and their intensities) provides useful information about type and density of radiation induced defects. The new results obtained on neutron-irradiated and hydrogen ions implanted German steels were compared to those from the previous studies with the aim to evaluate different processes (neutron flux/fluence thermal treatment or content of selected alloying elements) to the microstructural changes of neutron irradiated RPV steel specimens. The possibility of substitution of neutron treatment (connected to new defects creation) via hydrogen ions implantation was analyzed as well. The same materials exposed to comparable displacement damage (dpa) introduced by neutrons and accelerated hydrogen ions shown that in the results interpretation the effect of hydrogen as a vacancy-stabilizing gas must be considered too. This approach could contribute to future studies of nuclear fission/fusion design steels treated by high levels of neutron irradiation.

Hydrogen when based on renewable electricity can play a key role in the transition towards CO2-neutral industrial production since its use as an energy carrier as well as a feedstock in various industrial process routes is promising. At the same time a large-scale roll-out of hydrogen for industrial use would entail substantial impacts on the energy system which can only be assessed if the regional distribution of future hydrogen demand is considered. Here we assess the technical potential of hydrogen-based technologies for energy-intensive industries in Germany. The site-specific and process-specific bottom-up calculation considers 615 individual plants at 367 sites and results in a total potential hydrogen demand of 326 TWh/a. The results are available as an open dataset. Using hydrogen for non-energy-intensive sectors as well increases the potential hydrogen demand to between 482 and 534 TWh/a for Germany - based on today’s industrial structure and production output. This assumes that fossil fuels are almost completely replaced by hydrogen for process heating and feedstocks. The resulting hydrogen demand is very unevenly distributed: a few sites account for the majority of the overall potential and similarly the bulk of demand is concentrated in a few regions with steel and chemical clusters.

Hydrogen gas pressure is an important test parameter when considering materials for high-pressure hydrogen applications. A large set of data on the effect of hydrogen gas pressure on mechanical properties in gaseous hydrogen experiments was reviewed. The data were analyzed by converting pressures into fugacities (f) and by fitting the data using an f|n| power law. For 95% of the data sets |n| was smaller than 0.37 which was discussed in the context of (i) rate-limiting steps in the hydrogen reaction chain and (ii) statistical aspects. This analysis might contribute to defining the appropriate test fugacities (pressures) to qualify materials for gaseous hydrogen applications.

In recent years various studies have put forward the prospect of relying on low-carbon or renewable gases such as green hydrogen (H2) or biomethane to replace the supply of natural gas. Hydrogen in particular is receiving much attention as a versatile energy carrier that could complement direct electrification in a plethora of end-uses and questions over its production and deployment play an important part in the ongoing discussions around the energy chapters of the European Commission’s Green Deal agenda.

The aim of the short study was to assess the technical feasibility emission savings and cost impacts of the addition of hydrogen to the existing gas transport network the so-called practice of “hydrogen blending” which is currently being discussed as a deployment pathway in the context of the review of the EU Gas Market Regulation (GMR) and the Trans-European Networks for Energy (TEN-E) regulation.

The document can be downloaded from their website

Industrial and public interest in hydrogen technologies has risen strongly recently as hydrogen is the ideal means for medium to long term energy storage transport and usage in combination with renewable and green energy supply. In a future energy system the production storage and usage of green hydrogen is a key technology. Hydrogen is and will in future be even more used for industrial production processes as a reduction agent or for the production of synthetic hydrocarbons especially in the chemical industry and in refineries. Under certain conditions material based systems for hydrogen storage and compression offer advantages over the classical systems based on gaseous or liquid hydrogen. This includes in particular lower maintenance costs higher reliability and safety. Hydrogen storage is possible at pressures and temperatures much closer to ambient conditions. Hydrogen compression is possible without any moving parts and only by using waste heat. In this paper we summarize the newest developments of hydrogen carriers for storage and compression and in addition give an overview of the different research activities in this field.

A joint experimental and numerical investigation of turbulent flame anchoring at externally heated walls is presented. The phenomenon has primarily been studied for laminar flames and micro-combustion while this study focuses on large-scale applications and elevated Reynolds number flows. Therefore a novel burner design is developed and examined for a diverse set of operating conditions. Hydroxyl radical chemiluminescence measurements are employed to validate the numerical method. The numerical investigation evaluates the performance of various hydrogen/air kinetics Reynolds-averaged turbulence models and the eddy dissipation concept (EDC) as a turbulence-chemistry interaction model. Simulation results show minor differences between detailed chemical mechanisms but pronounced deviations for a reduced kinetic. The baseline k-ω turbulence model is assessed to most accurately predict flame front position and shape. Universal applicability of EDC modelling constants is contradicted. Conclusively the flame anchoring concept is considered a promising approach for pilot flames in continuous combustion devices.

Hydrogen can be produced from the decomposition of methane (also called pyrolysis). Many studies assume that this process emits few greenhouse gas (GHG) because the reaction from methane to hydrogen yields only solid carbon and no CO₂. This paper assesses the life-cycle GHG emissions and the levelized costs for hydrogen provision from methane decomposition in three configurations (plasma molten metal and thermal gas). The results of these configurations are then compared to electrolysis and steam methane reforming (SMR) with and without CO₂capture and storage (CCS). Under the global natural gas supply chain conditions hydrogen from methane decomposition still causes significant GHG emissions between 43 and 97 g CO₂-eq./MJ. The bandwidth is predominately determined by the energy source providing the process heat i.e. the lowest emissions are caused by the plasma system using renewable electricity. This configuration shows lower GHG emissions compared to the “classical” SMR (99 g CO₂-eq./MJ) but similar emissions to the SMR with CCS (46 g CO2-eq./MJ). However only electrolysis powered with renewable electricity leads to very low GHG emissions (3 g CO₂-eq./MJ). Overall the natural gas supply is a decisive factor in determining GHG emissions. A natural gas supply with below-global average GHG emissions can lead to lower GHG emissions of all methane decomposition configurations compared to SMR. Methane decomposition systems (1.6 to 2.2 €/kg H2) produce hydrogen at costs substantially higher compared to SMR (1.0 to 1.2 €/kg) but lower than electrolyser (2.5 to 3.0 €/kg). SMR with CCS has the lowest CO₂abatement costs (24 €/t CO₂-eq. other > 141 €/t CO₂-eq.). Finally fuels derived from different hydrogen supply options are assessed. Substantially lower GHG emissions compared to the fossil reference (natural gas and diesel/gasoline) are only possible if hydrogen from electrolysis powered by renewable energy is used (>90% less). The other hydrogen pathways cause only slightly lower or even higher GHG emissions.

Fossil fuels have to be substituted by climate neutral fuels to contribute to CO₂ reduction in the future energy system. Pyrolysis of natural gas is a well-known technical process applied for production of e. g. carbon black.

In the future it might contribute to carbon dioxide-free hydrogen production. Production of hydrogen from natural gas pyrolysis has thus gained interest in research and energy technology in the near past. If the carbon by-product of this process can be used for material production or can be sequestrated the produced hydrogen has a low carbon footprint.

This article reviews literature on the state of the art of methane/ natural gas pyrolysis process developments and at-tempts to assess the technology readiness level (TRL).

Shifting the fossil fuel dominated energy system to a sustainable hydrogen economy could mitigate climate change through reduction of greenhouse gas emissions. Because it is estimated that fossil fuels will remain a significant part of our energy system until mid-century bridge technologies which use fossil fuels in an environmentally cleaner way offer an opportunity to reduce the warming impact of continued fossil fuel utilization. Methane cracking is a potential bridge technology during the transition to a sustainable hydrogen economy since it produces hydrogen with zero emissions of carbon dioxide. However methane feedstock obtained from natural gas releases fugitive emissions of methane a potent greenhouse gas that may offset methane cracking benefits. In this work a model exploring the impact of methane cracking implementation in a hydrogen economy is presented and the impact on global emissions of carbon dioxide and methane is explored. The results indicate that the hydrogen economy has the potential to reduce global carbon dioxide equivalent emissions between 0 and 27% when methane leakage from natural gas is relatively low methane cracking is employed to produce hydrogen and a hydrogen fuel cell is applied. This wide range is a result of differences between the scenarios and the CH4 leakage rates used in the scenarios. On the other hand when methane leakage from natural gas is relatively high methane steam reforming is employed to produce hydrogen and an internal combustion engine is applied the hydrogen economy leads to a net increase in global carbon dioxide equivalent emissions between 19 and 27%.

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.