Search results for: hydrogen isotope permeability

Authors: Long Wang, Yongjin Feng, Xiaofang Luo

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Tritium permeation through structural materials is a significant issue for fusion demonstration (DEMO) reactor blankets in terms of fuel cycle efficiency and radiological safety. Reduced activation ferritic (RAFM) steel CLF-1 is a prime candidate for the China’s CFETR blanket structural material, facing high permeability of hydrogen isotopes at reactor operational temperature. To confine tritium as much as possible in the reactor, surface modification of the steels including fabrication of tritium permeation barrier (TPB) attracts much attention. As a new alloy system, high entropy alloy (HEA) contains at least five principal elements, each of which ranges from 5 at% to 35 at%. This high mixing effect entitles HEA extraordinary comprehensive performance. So it is attractive to lead HEA into surface alloying for protective use. At present, studies on the hydrogen isotope permeability of HEA coatings is still insufficient and corresponding mechanism isn’t clear. In our study, we prepared three kinds of HEA coatings, including AlCrTaTiZr, (AlCrTaTiZr)N and (AlCrTaTiZr)O. After comprehensive characterization of SEM, XPS, AFM, XRD and TEM, the structure and composition of the HEA coatings were obtained. Deuterium permeation tests were conducted to evaluate the hydrogen isotope permeability of AlCrTaTiZr, (AlCrTaTiZr)N and (AlCrTaTiZr)O HEA coatings. Results proved that the (AlCrTaTiZr)N and (AlCrTaTiZr)O HEA coatings had better hydrogen isotope permeation resistance. Through analyzing and characterizing the hydrogen isotope permeation results of the corroded samples, an internal link between hydrogen isotope permeation behavior and structure of HEA coatings was established. The results provide valuable reference in engineering design of structural and TPB materials for future fusion device.

Keywords: high entropy alloy, hydrogen isotope permeability, tritium permeation barrier, fusion demonstration reactor

Procedia PDF Downloads 171

Authors: Igor P. Maximkin, Arkady A. Yukhimchuk, Victor V. Baluev, Igor L. Malkov, Rafael K. Musyaev, Damir T. Sitdikov, Alexey V. Buchirin, Vasily V. Tikhonov

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Minimization of tritium diffusion leakage when developing devices handling tritium-containing media is key problems whose solution will at least allow essential enhancement of radiation safety and minimization of diffusion losses of expensive tritium. One of the ways to solve this problem is to use Al₂O₃ high-strength non-porous ceramics as a structural material of the bed body. This alumina ceramics offers high strength characteristics, but its main advantages are low hydrogen permeability (as against the used structural material) and high dielectric properties. The latter enables direct induction heating of an hydride-forming metal without essential heating of the pressure and containment vessel. The use of alumina ceramics and induction heating allows: - essential reduction of tritium extraction time; - several orders reduction of tritium diffusion leakage; - more complete extraction of tritium from metal hydrides due to its higher heating up to melting in the event of final disposal of the device. The paper presents computational and experimental results for the tritium bed designed to absorb 6 liters of tritium. Titanium was used as hydrogen isotope sorbent. Results of hydrogen realize kinetic from hydride-forming metal, strength and cyclic service life tests are reported. Recommendations are also provided for the practical use of the given bed type.

Keywords: aluminum oxide ceramic, hydrogen pressure, hydrogen isotope storage, titanium hydride

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Authors: Hyunchul Oh

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One of the challenges in modern separation science and technology is the separation of hydrogen isotopes mixtures since D2 and H2 consist of almost identical size, shape and thermodynamic properties. Recently, quantum sieving of isotopes by confinement in narrow space has been proposed as an alternative technique. Despite many theoretical suggestions, however, it has been difficult to discover a feasible microporous material up to now. Among various porous materials, the novel class of microporous framework materials (COFs, ZIFs and MOFs) is considered as a promising material class for isotope sieving due to ultra-high porosity and uniform pore size which can be tailored. Hence, we investigate experimentally the fundamental correlation between D2/H2 molar ratio and pore size at optimized operating conditions by using different ultramicroporous frameworks. The D2/H2 molar ratio is strongly depending on pore size, pressure and temperature. An experimentally determined optimum pore diameter for quantum sieving lies between 3.0 and 3.4 Å which can be an important guideline for designing and developing feasible microporous frameworks for isotope separation. Afterwards, we report a novel strategy for efficient hydrogen isotope separation at technologically relevant operating pressure through the development of quantum sieving exploited by the pore aperture engineering. The strategy involves installation of flexible components in the pores of the framework to tune the pore surface.

Keywords: gas adsorption, hydrogen isotope, metal organic frameworks(MOFs), quantum sieving

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Authors: Sirine Sayed, Mahrez Ait Mohammed, Mourad Nachtane, Abdelwahed Barkaoui, Khalid Bouziane, Mostapha Tarfaoui

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This study addresses a critical challenge in transitioning to a hydrogen-based economy by introducing and validating a one-dimensional (1D) tool for modelling hydrogen permeability through hybrid materials, focusing on tank applications. The model developed integrates rigorous experimental validation, published data, and advanced computational modelling using the PanDiffusion framework, significantly enhancing its validity and applicability. By elucidating complex interactions between material properties, storage system configurations, and operational parameters, the tool demonstrates its capability to optimize design and operational parameters in real-world scenarios, as illustrated through a case study of hydrogen leakage. This comprehensive approach to assessing hydrogen permeability contributes significantly to overcoming key barriers in hydrogen infrastructure development, potentially accelerating the widespread adoption of hydrogen technology across various industrial sectors and marking a crucial step towards a more sustainable energy future.

Keywords: hydrogen storage, composite tank, permeability modelling, PanDiffusion, energy carrier, transportation technology

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Authors: Motonori Tamura

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Ceramics coatings consisting of fine crystal grains, with diameters of about 100 nm or less, provided superior hydrogen-permeation barriers. Applying TiN, TiC or Al₂O₃ coatings on a stainless steel substrate reduced the hydrogen permeation by a factor of about 100 to 5,000 compared with uncoated substrates. Effect of the microstructure of coatings on hydrogen-permeation behavior is studied. The test specimens coated with coatings, with columnar crystals grown vertically on the substrate, tended to exhibit higher hydrogen permeability. The grain boundaries of the coatings became trap sites for hydrogen, and microcrystalline structures with many grain boundaries are expected to provide effective hydrogen-barrier performance.

Keywords: hydrogen permeation, tin coating, microstructure, crystal grain, stainless steel

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Authors: M. Tassi, E. Dotsika, P. Karalis, A. Trantalidou, A. Mazarakis Ainian

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The Kythnos Island in Greece is of particular archaeological interest, as it has been inhabited from the 12th BC until the 7th AD. From island excavations, numerous faunal and human skeletal remains have been recovered. This work is the first attempt at the paleoenvironmental reconstruction of the island via stable isotope analysis. Specifically, we perform 13C and 18O isotope analysis in faunal bone apatite in order to investigate the climate conditions that prevailed in the area. Additionally, we conduct 13C and 15N isotope analysis in faunal bone collagen, which will constitute the baseline for the subsequent diet reconstruction of the ancient Kythnos population.

Keywords: stable isotopes analysis, bone collagen stable isotope analysis, bone apatite stable isotope analysis, paleodiet, palaeoclimate

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Authors: Mehdi Ghanavati

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The Effects of salinity level and duration on carbon isotope discrimination (Δ) of Matricaria chamomilla and Matricaria aurea were evaluated. Four ecotypes of M. chamomilla and four ecotypes of M. aurea were grown at different NaCl concentrations (control, 6, 12 and 18 dS/m) in sand culture condition. Carbon isotope discrimination (Δ) varied significantly (p<0.001) among ecotypes. The amount of carbon isotope discrimination (Δ) increased in first salinity level (6 dS/m), but in other levels (12 and 18 dS/m) it did not increase. Stages of salinity treatments (two stages: first from seedling stage until the end of the experiment and second stage of stress exertion began at stem elongation and seedlings emergence from rosette stage to harvest) had not a significant difference. Study of two spices of chamomile showed the M. aurea had a higher amount of carbon isotope discrimination (Δ) (22.9%) than M. chamomilla (22.48%).

Keywords: salinity, carbon isotope discrimination, Matricaria chamomilla, Matricaria aurea

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Authors: M. Kucukali Ozturk, B. Nergis, C. Candan

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Air permeability plays an important role for applications such as filtration, thermal and acoustic insulation. The study discussed in this paper was conducted in an attempt to investigate air permeability property of various combinations of nonwovens. The PROWHITE air permeability tester was used for the measurement of the air permeability of the samples in accordance with the relevant standards and a comparative study of the results were made. It was found that the fabric mass per unit area was closely related to the air-permeability. The air permeability decreased with the increase in mass per unit area. Additionally, the air permeability of nonwoven fabrics decreased with the increase in thickness. Moreover, air permeability of multilayered SMS nonwoven structures was lower than those of single layered ones.

Keywords: air permeability, mass per unit area, nonwoven structure, polypropylene nonwoven, thickness

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Authors: Motonori Tamura

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The hydrogen barrier properties of the coatings of diamond-like carbon (DLC) were evaluated. Using plasma chemical vapor deposition and sputtering, DLC coatings were deposited on Type 316L stainless steels. The hydrogen permeation rate was reduced to 1/1000 or lower by the DLC coatings. The DLC coatings with high hydrogen content had high hydrogen barrier function. For hydrogen diffusion in coatings, the movement of atoms through hydrogen trap sites such as pores in coatings, and crystal defects such as dislocations, is important. The DLC coatings are amorphous, and there are both sp3 and sp2 bonds, and excess hydrogen could be found in the interstitial space and the hydrogen trap sites. In the DLC coatings with high hydrogen content, these hydrogen trap sites are likely already filled with hydrogen atoms, and the movement of new hydrogen atoms could be limited.

Keywords: hydrogen permeation, stainless steels, diamond-like carbon, hydrogen trap sites

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Authors: Chongsutthamani Sitthiwet, Praphatsorn Plerdsranoy, Palmarin Dansirima, Priew Eiamlamai, Oliver Utke, Rapee Utke

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Hydrogen storage tank containing compacted LiNH2-LiH is developed by doping with TiF₄ and multi-walled nanotubes (MWCNTs) to study kinetic properties. Transition metal-based catalyst (TiF₄) provides the catalytic effect on hydrogen dissociation/recombination, while MWCNTs benefit thermal conductivity and hydrogen permeability during de/rehydrogenation process. The Enhancement of dehydrogenation kinetics is observed from the single-step reaction at a narrower and lower temperature range of 150-350 ºC (100 ºC lower than the compacted LiNH₂-LiH without additives) as well as long plateau temperature and constant hydrogen flow rate (50 SCCM) up to 30 min during desorption. Besides, Hydrogen contents de/absorbed during 5-6 cycles increase from 1.90-2.40 to 3.10-4.70 wt. % H₂ (from 29 to up to 80 % of theoretical capacity). In the process, Li₅TiN₃ is detected upon cycling probably absorbs NH₃ to form Li₅TiN₃(NH₃)x, which is favoring hydrogen sorption properties of the LiNH₂-LiH system. Importantly, the homogeneous reaction mechanisms and performances are found at all positions inside the tank of compacted LiNH₂-LiH doped with TiF₄ and MWCNTs.

Keywords: carbon, hydride, kinetics, dehydrogenation

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Authors: Efthimios Kokkotos, Kostakis Marios, Beis Alexandros, Angelos Patakas, Antonios Avgeris, Vassilios Triantafyllidis

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H, C, and O stable isotope ratios were measured in different olive oils and table olives originating from different regions of Greece. In particular, the stable isotope ratios of different olive oils produced in the Lakonia region (Peloponesse – South Greece) from different varieties, i.e., cvs ‘Athinolia’ and ‘koroneiki’, were determined. Additionally, stable isotope ratios were also measured in different table olives (cvs ‘koroneiki’ and ‘kalamon’) produced in the same region (Messinia). The aim of this study was to provide sufficient isotope ratio data regarding each variety and region of origin that could be used in discriminative studies of oil olives and table olives produced by different varieties in other regions. In total, 97 samples of olive oil (cv ‘Athinolia’ and ‘koroneiki’) and 67 samples of table olives (cvs ‘kalmon’ and ‘koroneiki’) collected during two consecutive sampling periods (2021-2022 and 2022-2023) were measured. The C, H, and O isotope ratios were measured using Isotope Ratio Mass Spectrometry (IRMS), and the results obtained were analyzed using chemometric techniques. The measurements of the isotope ratio analyses were expressed in permille (‰) using the delta δ notation (δ=Rsample/Rstandard-1, where Rsample and Rstandardis represent the isotope ratio of sample and standard). Results indicate that stable isotope ratios of C, H, and O ranged between -28,5+0,45‰, -142,83+2,82‰, 25,86+0,56‰ and -29,78+0,71‰, -143,62+1,4‰, 26,32+0,55‰ in olive oils produced in Lakonia region from ‘Athinolia’ and ‘koroneiki ‘varieties, respectively. The C, H, and O values from table olives originated from Messinia region were -28,58+0,63‰, -138,09+3,27‰, 25,45+0,62‰ and -29,41+0,59‰,-137,67+1,15‰, 24,37+0,6‰ for ‘Kalamon’ and ‘koroneiki’ olives respectively. Acknowledgments: This research has been co-financed by the European Regional Development Fund of the European Union and Greek national funds through the Operational Program Competitiveness, Entrepreneurship and Innovation, under the call RESEARCH—CREATE—INNOVATE (Project code: T2EDK-02637; MIS 5075094, Title: ‘Innovative Methodological Tools for Traceability, Certification and Authenticity Assessment of Olive Oil and Olives’).

Keywords: olive oil, table olives, Isotope ratio, IRMS, geographical origin

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Authors: Minhee Son, Kyung Nam Kim

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This study explores the plan of the Korean and Japanese governments to transition into the hydrogen economy. Two motor companies, Hyundai Motor Company from Korea and Toyota from Japan, released the Hydrogen Fuel Cell Vehicle to monopolize the green energy automobile market. Although, they are the main countries which emit greenhouse gas, hydrogen energy can bring from a certain industry places, such as chemical plants and steel mills. Recent, the two countries have been focusing on the hydrogen industry including a fuel cell vehicle, a hydrogen station, a fuel cell plant, a residential fuel cell. The purpose of this paper is to find out the differences of the policies in the two countries to be hydrogen societies. We analyze the behavior of the public and private sectors in Korea and Japan about hydrogen energy and fuel cells for the transition of the hydrogen economy. Finally we show the similarities and differences of both countries in hydrogen fuel cells. And some cities have feature such as Hydrogen cities. Hydrogen energy can make impact environmental sustainability.

Keywords: fuel cell, hydrogen city, hydrogen fuel cell vehicle, hydrogen station, hydrogen energy

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Authors: M. Heidari, A. Safekordi, A. Zamaniyan, E. Ganji Babakhani, M. Amanipour

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Perovskite-type membrane Ba_0.5Sr_0.5Ce_0.9Y_0.1O_3-δ (BSCY) was successfully synthesized by liquid citrate method. The hydrogen permeation and stability of BSCY perovskite-type membranes were studied at high temperatures. The phase structure of the powder was characterized by X-ray diffraction (XRD). Scanning electron microscopy (SEM) was used to characterize microstructures of the membrane sintered under various conditions. SEM results showed that increasing in sintering temperature, formed dense membrane with clear grains. XRD results for BSCY membrane that sintered in 1150 °C indicated single phase perovskite structure with orthorhombic configuration, and SEM results showed dense structure with clear grain size which is suitable for permeation tests. Partial substitution of Sr with Ba in SCY structure improved the hydrogen permeation flux through the membrane due to the larger ionic radius of Ba²⁺. BSCY membrane shows high hydrogen permeation flux of 1.6 ml/min.cm² at 900 °C and partial pressure of 0.6.

Keywords: hydrogen separation, perovskite, proton conducting membrane.

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Authors: Mojtaba Heydarizad, Hamid Ghalibaf Mohammadabadi

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Iran is a semi-arid and arid country in south-western Asia in the Middle East facing intense climatological drought from the early times. Therefore, studying the precipitation events and the moisture sources and air masses causing precipitation has great importance in this region. In this study, the moisture sources and stable isotope content of precipitation moisture in three main events in 2015 have been studied in North-Eastern Iran. HYSPLIT model backward trajectories showed that the Caspian Sea and the mixture of the Caspian and Mediterranean Seas are dominant moisture sources for the studied events. This showed the role of cP (Siberian) and Mediterranean (MedT) air masses. Stable isotope studies showed that precipitation events originated from the Caspian Sea with lower Sea Surface Temperature (SST) have more depleted isotope values. However, precipitation events sourced from the mixture of the Caspian and the Mediterranean Seas (with higher SST) showed more enriched isotope values.

Keywords: HYSPLIT, Iran, Northern Khorasan, stable isotopes

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Authors: Osamu Takakuwa, Yuta Mano, Hitoshi Soyama

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This paper reveals the interaction between hydrogen and surface stress in austenitic stainless steel by X-ray diffraction stress measurement and thermal desorption analysis before and after being charged with hydrogen. The surface residual stress was varied by surface finishing using several disc polishing agents. The obtained results show that the residual stress near surface had a significant effect on hydrogen absorption behavior, that is, tensile residual stress promoted the hydrogen absorption and compressive one did opposite. Also, hydrogen induced equi-biaxial stress and this stress has a linear correlation with hydrogen content.

Keywords: hydrogen embrittlement, residual stress, surface finishing, stainless steel

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Authors: Ahmed T. Farid, Muhammed Rizwan

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Geotechnical study for evaluating soil or rock permeability is a highly important parameter. Permeability values for rock formations are more difficult for determination than soil formation as it is an effect of the rock quality and its fracture values. In this research, the prediction of in situ permeability of limestone rock formations was predicted. The limestone rock permeability was evaluated using Lugeon tests (in-situ packer permeability). Different sites which spread all over the Riyadh region of Saudi Arabia were chosen to conduct our study of predicting the in-situ permeability of limestone rock. Correlations were deducted between the values of in-situ permeability of the limestone rock with the value of the rock quality designation (RQD) calculated during the execution of the boreholes of the study areas. The study was performed for different ranges of RQD values measured during drilling of the sites boreholes. The developed correlations are recommended for the onsite determination of the in-situ permeability of limestone rock only. For the other sedimentary formations of rock, more studies are needed for predicting the actual correlations related to each type.

Keywords: In situ, packer, permeability, rock, quality

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Authors: Hamoud Al-Hadrami, Hossein Emadi, Athar Hussain

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Green hydrogen is quickly emerging as a new source of renewable energy for the world. Hydrogen production using water electrolysis is deemed as an environmentally friendly and safe source of energy for transportation and other industries. However, storing a high volume of hydrogen seems to be a significant challenge. Abandoned hydrocarbon reservoirs are considered as viable hydrogen storage options because of the availability of the required infrastructure such as wells and surface facilities. However, long-term wellbore integrity in these wells could be a serious challenge. Hydrogen reduces the compressive strength of a set cement if it gets in contact with the cement slurry. Also, mixing hydrogen with cement slurry slightly increases its density and rheological properties, which need to be considered to have a successful primary cementing operation.

Keywords: hydrogen, well bore integrity, clean energy, cementing

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Authors: Khwaja Naweed Seddiqi, Shigeo Honma

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Relative permeability is the important parameter controlling the immiscible displacement of multiphase fluids flow in porous medium. The relative permeability for immiscible displacement of two-phase fluids flow (oil and water) in porous medium has been measured in this paper. As a result of the experiment, irreducible water saturation, Swi, residual oil saturation, Sor, and relative permeability curves for Kerosene, Heavy oil and Lubricant oil were determined successfully.

Keywords: relative permeability, two-phase flow, immiscible displacement, porous medium

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Authors: Viney Dixit, Rohit R. Shahi, Ashish Bhatnagar, P. Jain, T. P. Yadav, O. N. Srivastava

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Carbons are being widely investigated as hydrogen storage material owing to their light weight, fast hydrogen absorption kinetics and low cost. However, these materials suffer from low hydrogen storage capacity at room temperature. The aim of the present study is to synthesize carbon based material which shows moderate hydrogen storage at room temperature. For this purpose, hydrogenation characteristics of natural precursor coconut kernel is studied in this work. The hydrogen storage measurement reveals that the as-synthesized materials have good hydrogen adsorption and desorption capacity with fast kinetics. The synthesized material absorbs 8 wt.% of hydrogen at liquid nitrogen temperature and 2.3 wt.% at room temperature. This could be due to the presence of certain elements (KCl, Mg, Ca) which are confirmed by TEM.

Keywords: coconut kernel, carbonization, hydrogenation, KCl, Mg, Ca

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Authors: Trung Le Thanh

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Soil permeability coefficient is an important parameter that affects the effectiveness of mortar restoration work to reinforce soft soil. Currently, there are many methods to determine the permeability coefficient of ground through laboratory and field experiments. However, the value of the permeability coefficient is determined very differently depending on the geology in general and the sand base in particular. This article presents how to determine the permeability coefficient of sand foundation in Phu My Ward, Tan Uyen City, Binh Duong. The author analyzes and evaluates the advantages and disadvantages of assessment methods based on the data and results obtained, and on that basis recommends a suitable method for determining the permeability coefficient for sand foundations. The research results serve the evaluation of the effectiveness of grouting to reinforce soft ground in general, and grouting of bored piles in particular.

Keywords: permeability coefficient, soft soil, shaft grouting, post grouting, jet grouting

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Authors: M. A. Lahmer, K. Guergouri

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In this work, Kinetic Monte Carlo (KMC) method was applied to study the thermal stability of hydrogen in ZnO bulk and thin films. Our simulation includes different possible events such as interstitial hydrogen (Hi) jumps, substitutional hydrogen (HO) formation and dissociation, oxygen and zinc vacancies jumps, hydrogen-VZn complexes formation and dissociation, HO-Hi complex formation and hydrogen molecule (H2) formation and dissociation. The obtained results show that the hidden hydrogen formed during thermal annealing or at room temperature is constituted of both hydrogen molecule and substitutional hydrogen. The ratio of this constituants depends on the initial defects concentration as well as the annealing temperature. For annealing temperature below 300°C hidden hydrogen was found to be constituted from both substitutional hydrogen and hydrogen molecule, however, for higher temperature it is composed essentially from HO defects only because H2 was found to be unstable. In the other side, our results show that the remaining hydrogen amount in sample during thermal annealing depend greatly on the oxygen vacancies in the material. H2 molecule was found to be stable for thermal annealing up to 200°C, VZnHn complexes are stable up to 350°C and HO was found to be stable up to 450°C.

Keywords: ZnO, hydrogen, thermal annealing, kinetic Monte Carlo

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Authors: Julian David Hunt, Andreas Nascimento

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Green hydrogen is the most environmental, renewable alternative to produce hydrogen. However, an important challenge to make hydrogen a competitive energy carrier is a constant supply of renewable energy, such as solar, wind and hydropower. Given that the electricity generation potential of these sources vary seasonally and interannually, this paper proposes installing an electrolysis hydrogen production plant in a ship and move the ship to the locations where electricity is cheap, or where the seasonal potential for renewable generation is high. An example of electrolysis ship application is to produce green hydrogen with hydropower from the North region of Brazil and then sail to the Northeast region of Brazil and generate hydrogen using excess electricity from offshore wind power. The electrolysis ship concept is interesting because it has the flexibility to produce green hydrogen using the cheapest renewable electricity available in the market.

Keywords: green hydrogen, electrolysis ship, renewable energies, seasonal variations

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Authors: Yitong Xie, Chaokui Qin, Zhiguang Chen, Shuangqian Guo

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Injecting hydrogen, a competitive carbon-free energy carrier, into existing natural gas networks has become a promising step toward alleviating global warming. Considering the differences in properties of hydrogen and natural gas, there is very little evidence showing how many degrees of hydrogen admixture can be accepted and how to adjust appliances to adapt to gas constituents' variation. The lack of this type of analysis provides more uncertainty in injecting hydrogen into networks because of the short the basis of burner design and adjustment. First, the properties of methane and hydrogen were compared for a comprehensive analysis of the impact of hydrogen addition to methane. As the main determinant of flame stability, the burning velocity was adopted for hydrogen addition analysis. Burning velocities for hydrogen-enriched natural gas with different hydrogen percentages and equivalence ratios were calculated by the software CHEMKIN. Interchangeability methods, including single index methods, multi indices methods, and diagram methods, were adopted to determine the limit of hydrogen percentage. Cooktops and water heaters were experimentally tested in the laboratory. Flame structures of different hydrogen percentages and equivalence ratios were observed and photographed. Besides, the change in heat efficiency, burner temperature, emission by hydrogen percentage, and equivalence ratio was studied. The experiment methodologies and results in this paper provide an important basis for the introduction of hydrogen into gas pipelines and the adjustment of gas appliances.

Keywords: hydrogen, methane, combustion, appliances, interchangeability

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Authors: Hideyuki Onodera, Ryoji Imai, Masahiro Sakai

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Explosions have occurred in incineration plants in conveyors, ash pits, and other locations. The cause of such explosions is thought to be the reaction of metallic aluminum contained in the ash with water used to cool the ash and prevent scattering, resulting in the generation of hydrogen. Given this background, conveyors and other equipment have been damaged by explosions, which has hindered the stable operation of incineration plants. In addition, workers may be injured by equipment explosions, creating an unsafe situation. To remedy these problems, it is necessary to devise a way to prevent hydrogen explosions from occurring. To overcome this problem, we conducted a hydrogen generation reaction experiment using simulated incinerator ash powder containing aluminum, calcium oxide, and water and confirmed that conditions exist to stop the hydrogen generation reaction. The results of this research may contribute to the suppression of hydrogen explosions at incineration plants.

Keywords: waste incinerated ash, aluminum, water, hydrogen, suppression of hydrogen generation, incineration plant

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Authors: Boyu Li

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Mixed matrix membranes (MMMs), as a separation technology, can improve CO₂ recycling efficiency and reduce the environmental impacts associated with huge emissions. Nevertheless, many challenges must be overcome to design excellent selectivity and permeability performance MMMs. Herein, this work demonstrates the design of nano-scale GNPs (Cu-BDC@PEG) with strong compatibility and high free friction volume (FFV) is an effective way to construct non-interfacial voids MMMs with a desirable combination of selectivity and permeability. Notably, the FFV boosted thanks to the chain length and shape of the GNPs. With this, the permeability and selectivity of Cu-BDC@PEG/PVDF MMMs had also been significantly improved. As such, compatible Cu-BDC@PEG proves very efficient for resolving challenges of MMMs with poor compatibility on the basis of the interfacial defect. Poly (Ethylene Glycol) (PEG) with oxygen groups can be finely coordinated with Cu-MOFs to disperse Cu-BDC@PEG homogenously and form hydrogen bonds with matrix to achieve continuous phase. The resultant MMMs exhibited a simultaneous enhancement of gas permeability (853.1 Barrer) and ideal CO₂/N selectivity (41.7), which has surpassed Robenson's upper bound. Moreover, Cu-BDC@PEG/PVDF has a high-temperature resistance and a long time sustainably. This attractive separation performance of Cu-BDC@PEG/PVDF offered an exciting platform for the development of composite membranes for sustainable CO₂ separations.

Keywords: metal organic framework, CO₂ separation, mixed matrix membrane, polymer

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Authors: Ilkay Ozsev Yuksek, Nuray Ucar, Zeynep Esma Soygur, Yasemin Kucuk

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In this study, composite fabrics with polyacrylonitrile electrospun nanofiber deposited onto quilted polyester fabric have been produced in order to control the isolation properties such as water vapor permeability, air permeability and thermal conductivity. Different nanofiber webs were manufactured by changing polymer concentration from 10% to 16% and by changing the deposition time from 1 to 3 hours. Presence of nanofiber layer on the quilted fabric results to an increase of an isolation, i.e., a decrease of the moisture vapor transport rates at 20%, decrease of thermal conductivity at 15% and a decrease of air permeability values at 50%.

Keywords: nanofiber/fabric composites, electrospinning, isolation, thermal conductivity, moisture vapor transport, air permeability

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Authors: Sundaram Arulmozhiraja, Kanade Shimizu, Yuta Yamamoto, Satoshi Ichikawa, Maenaka Katsumi, Hiroaki Tokiwa

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Drug discovery is shifting from small molecule based drugs targeting local active site to middle molecules (MM) targeting large, flat, and groove-shaped binding sites, for example, protein-protein interface because at least half of all targets assumed to be involved in human disease have been classified as “difficult to drug” with traditional small molecules. Hence, MMs such as peptides, natural products, glycans, nucleic acids with various high potent bioactivities become important targets for drug discovery programs in the recent years as they could be used for ‘undruggable” intracellular targets. Cell membrane permeability is one of the key properties of pharmacodynamically active MM drug compounds and so evaluating this property for the potential MMs is crucial. Computational prediction for cell membrane permeability of molecules is very challenging; however, recent advancement in the molecular dynamics simulations help to solve this issue partially. It is expected that MMs with high membrane permeability will enable drug discovery research to expand its borders towards intracellular targets. Further to understand the chemistry behind the permeability of MMs, it is necessary to investigate their conformational changes during the permeation through membrane and for that their interactions with the membrane field should be studied reliably because these interactions involve various non-bonding interactions such as hydrogen bonding, -stacking, charge-transfer, polarization dispersion, and non-classical weak hydrogen bonding. Therefore, parameters-based classical mechanics calculations are hardly sufficient to investigate these interactions rather, quantum mechanical (QM) calculations are essential. Fragment molecular orbital (FMO) method could be used for such purpose as it performs ab initio QM calculations by dividing the system into fragments. The present work is aimed to study the cell permeability of middle molecules using molecular dynamics simulations and FMO-QM calculations. For this purpose, a natural compound syringolin and its analogues were considered in this study. Molecular simulations were performed using NAMD and Gromacs programs with CHARMM force field. FMO calculations were performed using the PAICS program at the correlated Resolution-of-Identity second-order Moller Plesset (RI-MP2) level with the cc-pVDZ basis set. The simulations clearly show that while syringolin could not permeate the membrane, its selected analogues go through the medium in nano second scale. These correlates well with the existing experimental evidences that these syringolin analogues are membrane-permeable compounds. Further analyses indicate that intramolecular -stacking interactions in the syringolin analogues influenced their permeability positively. These intramolecular interactions reduce the polarity of these analogues so that they could permeate the lipophilic cell membrane. Conclusively, the cell membrane permeability of various middle molecules with potent bioactivities is efficiently studied using molecular dynamics simulations. Insight of this behavior is thoroughly investigated using FMO-QM calculations. Results obtained in the present study indicate that non-bonding intramolecular interactions such as hydrogen-bonding and -stacking along with the conformational flexibility of MMs are essential for amicable membrane permeation. These results are interesting and are nice example for this theoretical calculation approach that could be used to study the permeability of other middle molecules. This work was supported by Japan Agency for Medical Research and Development (AMED) under Grant Number 18ae0101047.

Keywords: fragment molecular orbital theory, membrane permeability, middle molecules, molecular dynamics simulation

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Authors: Fahad A. Alotaibi

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An increase in salt dissolution rate with continuous water flow is expected to lead to the progressive collapse of the soil structure. Evaluation of the relationship between soil salt dissolution and the variation of sabkha soil permeability in terms of type, rate, and quantity in order to assure construction safety in these environments. The current study investigates the relationship of soil permeability with the rate of dissolution of calcium (Ca2+), sulfate (SO4-2), chloride (CL−1), magnesium (Mg2+), sodium (Na+), and potassium (K+1) ions. Results revealed an increase in sabkha soil permeability with the rate of ions dissolution. This makes the efficiency of using a waterproofing stabilization agent in the reduction of sabkha salts dissolution the main criterion is selecting suitable stabilizing method.

Keywords: sabkha, permeability, salts, dissolution

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Authors: Enayat Enayati, Reza Behtash

Abstract:

The purpose of the H2 removal system is to reduce a content of hydrogen and other combustibles in the CO2 feed owing to avoid developing a possible explosive condition in the synthesis. In order to reduce the possibility of forming an explosive gas mixture in the synthesis as much as possible, the hydrogen percent in the fresh CO2, will be removed in hydrogen converter. Therefore the partly compressed CO2/Air mixture is led through Hydrogen converter (Reactor) where the H2, present in the CO2, is reduced by catalytic combustion to values less than 50 ppm (vol). According the following exothermic chemical reaction: 2H2 + O2 → 2H2O + Heat. The catalyst in hydrogen converter consist of platinum on a aluminum oxide carrier. Low catalyst activity maybe due to catalyst poisoning. This will result in an increase of the hydrogen content in the CO2 to the synthesis. It is advised to shut down the plant when the outlet of hydrogen converter increased above 100 ppm, to prevent undesirable gas composition in the plant. Replacement of catalyst will be time exhausting and costly so as to prevent this, we increase the inlet temperature of hydrogen converter according to following Arrhenius' equation: K=K0e (-E_a/RT) K is rate constant of a chemical reaction where K0 is the pre-exponential factor, E_a is the activation energy, and R is the universal gas constant. Increment of inlet temperature of hydrogen converter caused to increase the rate constant of chemical reaction and so declining the amount of hydrogen from 125 ppm to 70 ppm.

Keywords: catalyst, converter, poisoning, temperature

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Authors: Abdalla Ahmad Obeidat

Abstract:

Developing efficient hydrogen storage materials is critical to advancing clean energy technologies, particularly for applications in fuel cells and renewable energy systems. This study explores materials for hydrogen storage through Density Functional Theory (DFT) calculations, addressing one of the most significant challenges in sustainable energy: the safe and efficient storage and release of hydrogen. Our research provides an in-depth analysis of various candidate compounds' structural and electronic properties, aiming to identify materials with enhanced hydrogen storage capacities. By investigating adsorption mechanisms and optimizing key material properties, we aim to contribute to developing high-performance hydrogen storage solutions. The findings from this work have the potential to impact the field of hydrogen fuel technology significantly, offering insights and advancements that support the transition to sustainable energy systems.

Keywords: hydrogen storage, density functional theory, electronic, thermal stability

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