Atomistic insight into the lubrication of glycerol aqueous solution: The role of the solid interface-induced microstructure of fluid molecules

Molecular dynamics simulations are performed to investigate the solid surface-induced microstructure and friction coefficient of glycerol aqueous solutions with different water contents confined in graphene and FeO nanoslits. Results show that the friction coefficient of glycerol aqueous solutions confined in both nanoslits presents similar nonlinear variation tendencies with increasing water content, but their lowest value and the corresponding water contents differ. Distinctive microstructures of the near-surface liquid layer induced by surfaces with different hydrophilicity are responsible for their difference in lubrication. The sliding primarily occurs at the solid–liquid interface for the hydrophobic graphene nanoslit owing to almost the same velocity difference in fluid molecules. By contrast, the sliding mainly occurs at the liquid–liquid interface for the hydrophilic FeO nanoslit because of the large velocity difference in fluid molecules. The weaker the interaction force at the sliding position, the lower the friction coefficient.     

Data requirements for improving the Quantitative Risk Assessment of liquid hydrogen storage systems

Quantitative Risk Assessment (QRA) supports the development of risk-informed safety codes and standards which are employed to enable the safe deployment of hydrogen technologies essential to decarbonize the transportation sector. System reliability data is a necessary input for rigorous QRA. The lack of reliability data for bulk liquid hydrogen (LH₂) storage systems located on site at fueling stations limits the use of QRAs. In turn, this hinders the ability to develop the necessary safety codes and standards that enable worldwide deployment of these stations. Through a QRA-based analysis of a LH₂ storage system, this work focuses on identifying relevant scenario and probability data currently available and ascertaining future data collection requirements regarding risks specific to liquid hydrogen releases. The work developed consists of the analysis of a general bulk LH₂ storage system design located at a hydrogen fueling station. Failure Mode and Effect Analysis (FMEA) and traditional QRA modeling tools such as Event Sequence Diagrams (ESD) and Fault Tree Analysis (FTA) are employed to identify, rank, and model risk scenarios related to the release of LH₂. Based on this analysis, scenario and reliability data needs to add LH₂-related components to QRA are identified with the purpose of improving the future safety and risk assessment of these systems.     

Thermo-economic investigation on the hydrogen production through the stored solar energy in a salinity gradient solar pond: A comparative study by employing APC and ORC with zeotropic mixture

In this paper, a salinity gradient solar pond (SGSP) is used to harness the solar energy for hydrogen production through two cycles. The first cycle includes an absorption power cycle (APC), a proton exchange membrane (PEM) electrolyzer, and a thermoelectric generator (TEG) unit; in the second one, an organic Rankine cycle (ORC) with the zeotropic mixture is used instead of APC. The cycles are analyzed through the thermoeconomic vantage point to discover the effect of key decision variables on the cycles’ performance. Finally, NSGA-II is used to optimize both cycles. The results indicate that employing ORC with zeotropic mixture leads to a better performance in comparison to utilizing APC. For the base mode, unit cost product (UCP), exergy, and energy efficiency when APC is employed are 59.9 $/GJ, 23.73%, and 3.84%, respectively. These amounts are 47.27 $/GJ, 29.48%, and 5.86% if ORC with the zeotropic mixture is utilized. The APC and ORC generators have the highest exergy destruction rate which is equal to 6.18 and 10.91 kW. In both cycles, the highest investment cost is related to the turbine and is 0.8275 $/h and 0.976 $/h for the first and second cycles, respectively. In the optimum state the energy efficiency, exergy efficiency, UCP, and H₂ production rate of the system enhances 42.44%, 27.54%,15.95%, and 38.24% when ORC with the zeotropic mixture is used. The maximum H₂ production is 0.47 kg/h, and is obtained when the mass fraction of R142b, LCZ temperature, pumps pressure ratio, generator bubble point temperature are 0.603, 364.35 K, 2.12, 337.67 K, respectively.     

Hydrogen-rich gas generation via the exhaust gas-fuel reformer for the marine LNG engine

Reformed exhaust gas recirculation technology has attracted great attention in internal combustion engines. A platform of an exhaust gas-fuel reformer connected with the marine LNG engine was set up for generating on-board hydrogen. Based on the platform, effects of the methane to oxygen ratio (M/O) and reformed exhaust gas ratio (R_EG) from the reformer and excess air ratio (λ) from the engine on the components, hydrogen yield, thermal efficiency and reforming process of the reformer were experimentally investigated. Results shown that hydrogen-rich gases (reformate) can be generated by reforming the mixture of engine exhaust gas (about 400 °C) and methane supplied via the reformer with Ni/Al₂O₃ catalyst, and the hydrogen concentration of reformate was between 6.2% and 12.6% by volume. The methane supplied rate and λ affected the components and temperature of the reactant in the reformer, while R_EG changed the gas hour space velocity during the exhaust gas-fuel reforming processes, resulting in the difference in the components of the reformate and thermal efficiency. At the present experimental condition, the highest H₂ concentration reformate was generated under the M/O of 2.0, λ of 1.55 and R_EG of 6%.     

Effect of heat loss on the syngas production by fuel-rich combustion in a divergent two-layer burner

The effect of heat loss on the syngas production from partial combustion of fuel-rich in a divergent two-layer burner is numerically studied using two-dimensional model with detailed kinetics GRI-Mech 1.2. Both the radiation and wall heat losses to the surrounding are considered in the computations. It is shown that two types heat losses have different effects on the syngas production. The radiation heat loss has significant effect on the syngas temperature and the syngas temperature is dropped as radiation heat loss is increased, but it has neglected effect on the reforming efficiency and methane conversion efficiency. The wall heat loss has a comprehensive effect on the syngas production. The wall heat loss not only reduces the conversion efficiency, but also significantly decreases the syngas temperature. The effect of wall heat loss becomes weak as the equivalence is increased. The reforming efficiency drops from 0.440 to 0.424 for equivalence ratio of 2 and mixture velocity of 0.17 m/s for the predictions between adiabatic wall and non-adiabatic conditions.     

Effect of catalytic washcoat shape and properties on mass transfer characteristics of microstructured steam-methanol reformers for hydrogen production

Many attempts have been made to improve mass transfer by reducing the size of reactors. However, such reduction will fairly quickly reach practical limitations and numerous difficulties still remain. Catalytic washcoat shape and properties may be critical design factors, but the mechanisms for their effects on mass transfer characteristics are still not fully understood. To effectively eliminate problems associated with mass transport phenomena in microstructured steam-methanol reformers, the effects of washcoat shape and properties were investigated in various situations by performing computational fluid dynamics simulations. The dependence of the solution on mass transfer characteristics was reduced to a small number of dimensionless parameters. A dimensionless mass transfer analysis was carried out in terms of the Sherwood, Schmidt, and pore Reynolds numbers. The results indicated that the rate of mass transfer is predominantly controlled by washcoat properties, and porosity and effective thermal conductivity are fundamentally important. The rate of the reforming reaction is typically controlled by kinetics at a temperature of 480 K and limited by mass transfer at a temperature of 580 K. The shape of washcoats affects the overall mass transfer characteristics, depending on the structural and thermal properties of washcoats. The shape effect is limited by heat transfer. A three-fold increase in effectiveness factor can be achieved by increasing the effective thermal conductivity of the washcoat. Design recommendations were finally made to improve transport characteristics for the systems.     

Effect of nickel concentration on biohydrogen production: Organic solid waste vs. glucose

In recent years, alternative renewable energy generation sources have been investigated, highlighting the dark fermentation process due to it’s potential to obtain hydrogen-rich gas, which can be used as an energy source. Different trace metals intervene in this biological process. Nickel is one of the most important because it is a component of the [Ni–Fe] hydrogenase enzyme that catalyzes the oxidation of H₂ in numerous bacteria. The aim of this study was to evaluate the effect of nickel on biohydrogen production from organic solid waste (OSW). The experimental setup was carried out in batch tests using OSW as the substrate, glucose as a reference compound and the valuation of Ni²⁺ doses on the operation in a Sequencing Batch Reactor. The results of the batch tests showed that when using glucose as a substrate, 2 mg Ni²⁺/g VS_inoculum generated the highest hydrogen production (774 ± 7.3 mL H₂/L/d) and highest yield (55.8 ± 3.4 mL H₂/g of glucose), which was 34.4% higher than the control. Testing of different concentrations of nickel using OSW as a carbon source showed that the highest production was obtained without Ni²⁺ addition since the nickel concentration in the residue was 0.17 ± 0.06 mgNi/gVS; consequently, hydrogen production was not affected by the lack of Ni. The addition of 0.5 mg Ni²⁺/g VS_inoculum decreased acetate and butyrate production and increased caproate production.     

Adenine-functionalized conjugated polymer as an efficient photocatalyst for hydrogen evolution from water

Conjugated polymers have emerged as a promising class of organic photocatalysts for photocatalytic hydrogen evolution from water splitting due to their adjustable chemical structures and electronic properties. However, developing highly efficient organic polymer photocatalysts with high photocatalytic activity for hydrogen evolution remains a significant challenge. Herein, we present an efficient approach to enhance the photocatalytic performance of linear conjugated polymers by modifying the surface chemistry via introducing a hydrophilic adenine group into the side chain. The adenine unit with five nitrogen atoms could enhance the interaction between the surface of polymer photocatalyst and water molecules through the formation of hydrogen bonding, which improves the hydrophilicity and dispersity of the resulting polymer photocatalyst in the photocatalytic reaction solution. In addition, the strong electron-donating ability of adenine group with plentiful nitrogen atoms could promote the separation of light-induced electrons and holes. As a result, the adenine-functionalized conjugated polymer PF6A-DBTO2 shows a high photocatalytic activity with a hydrogen evolution rate (HER) of 25.21 mmol g^?1 h^?1 under UV-Vis light irradiation, which is much higher than that of its counterpart polymer PF6-DBTO2 without the adenine group (6.53 mmol g^?1 h^?1). More importantly, PF6A-DBTO2 without addition of a Pt co-catalyst also exhibits an impressive HER of 21.93 mmol g^?1 h^?1 under visible light (λ > 420 nm). This work highlights that it is an efficient strategy to improve the photocatalytic activity of conjugated polymer photocatalysts by the modification of surface chemistry.     

LED light-induced enhanced photocatalytic hydrogen evolution on Au@TiO2 core–shell modified by nitrogen doping and reduced graphene oxide

This study focused on the large band gap of TiO₂ for its use as a photocatalyst under light emitting diode (LED) light irradiation. The photocatalytic activities of core–shell structured Au@TiO₂ nanoparticles (NPs), nitrogen doped Au@TiO₂ NPs, and Au@TiO₂/rGO nanocomposites (NCs) were investigated under various light intensities and sacrificial reagents. All the materials showed better photocatalytic activity under white LED light irradiation than under blue LED light. The N-doped core–shell structured Au@TiO₂ NPs (Au@N–TiO₂) and Au@TiO₂/rGO NCs showed enhanced photocatalytic activity with an average H₂ evolution rate of 9205 μmol h^?1g^?1 and 9815 μmol h^?1g^?1, respectively. All these materials showed an increasing rate of hydrogen evolution with increasing light intensity and catalyst loading. In addition, methanol was more suitable as a sacrificial reagent than lactic acid. The rate of hydrogen evolution increased with increasing methanol concentration up to 25% in DI water and decreased at higher concentrations. Overall, Au@TiO₂ core–shell-based nanocomposites can be used as an improved photocatalyst in photocatalytic hydrogen production.     

Efficient utilization of waste heat from molten carbonate fuel cell in parabolic trough power plant for electricity and hydrogen coproduction

Direct steam generating parabolic trough power plant is an important technology to match future electric energy demand. One of the problems related to its emergence is energy storage. Solar-to-hydrogen is a promising technology for solar energy storage. Electrolysis is among the most processes of hydrogen production recently investigated. High temperature steam electrolysis is a clean process to efficiently produce hydrogen. In this paper, steam electrolysis process using solar energy is used to produce hydrogen. A heat recovery steam generator generates high temperature steam thanks to the molten carbonate fuel cell's waste heat. The analytical study investigates the energy efficiency of solar power plant, molten carbonate fuel cell and electrolyser. The impact of waste heat utilization on electricity and hydrogen generation is analysed. The results of calculations done with MATLAB software show that fuel cell produces 7.73 MWth of thermal energy at design conditions. 73.37 tonnes of hydrogen and 14.26 GWh of electricity are yearly produced. The annual energy efficiency of electrolyser is 70% while the annual mean electric efficiency of solar power plant is 18.30%.The proposed configuration based on the yearly electricity production and hydrogen generation has presented a good performance.