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208 results about "Hydrogen molecule" patented technology

Molecular hydrogen is 2 hydrogen atoms combined into 1 molecule (H2). When infused into water, hydrogen acts as an incredible antioxidant and energizer. It does this by neutralizing free radicals which serves to protect all of our cells.

Novel adjustable partition type alkaline electrolytic bath process and matched electrolysis cell structure

The invention provides a novel adjustable partition type alkaline electrolytic cell technology and a matched electrolysis cell structure, and belongs to the technical field of alkaline water electrolysis hydrogen production. According to the technology, a flow channel of an alkaline water electrolysis device is changed to be four-in and four-out and is divided into four areas, and the flow of each area is independently adjusted; a hydrogen molecule detector is arranged on the gas outlet side, the opening degree of a liquid inlet adjusting valve is controlled according to a detection result, dynamic adjustment is achieved, and flow balance is guaranteed; the small electrolysis chamber comprises a pole frame, a pole plate, a diaphragm and an electrode net, the pole frame is in four-partition design, and a vertical partition plate is added to enhance the rigidity; the pole plate is divided into three phases and the mastoid structure is optimized; the diaphragm is designed in a split manner; the electrode net is optimized according to the polar plate. The process and the structure are optimized, the electrolysis efficiency is improved, the structural safety is enhanced, the energy consumption is reduced, and good application prospects are achieved in the field of hydrogen production through alkaline electrolysis of water.
Owner:DALIAN HUARUI HEAVY IND GRP CO LTD

Method and system for calculating and evaluating hydrogen storage performance of solid hydrogen storage material

The invention relates to the technical field of hydrogen storage performance calculation and evaluation, and discloses a method and a system for calculating and evaluating the hydrogen storage performance of a solid hydrogen storage material. Analyzing and designing the mechanical property, electron distribution, heat-conducting property, heat stability and the like of the material; the hydrogen adsorption performance of the newly designed hydrogen storage material is calculated by calculating the adsorption state and adsorption energy of hydrogen molecules on the hydrogen storage material and the hydrogen adsorption capacity of the material under different pressures and temperatures; and drawing a hydrogen adsorption dynamic curve of the solid hydrogen storage material so as to calculate and evaluate the hydrogen storage dynamic performance of the material. The system comprises a performance analysis module, a performance calculation module and a performance evaluation module. The research and development efficiency and hydrogen storage performance of the solid hydrogen storage material can be comprehensively improved in theory and practical application. Each step provides important theoretical support and data basis for solving technical challenges in different aspects.
Owner:POWER CHINA KUNMING ENG CORP LTD

Method for synthesizing hydrogen carried by quartz glass

The invention belongs to the technical field of quartz glass, and discloses a synthetic quartz glass hydrogen loading method, which comprises: carrying out a first-stage heat treatment on synthetic quartz glass in a hydrogen atmosphere, carrying out a second-stage heat treatment in a vacuum atmosphere, and finally carrying out a third-stage heat treatment in a hydrogen-containing atmosphere so as to obtain the hydrogen-containing synthetic quartz glass. The hydrogen loading method is simple in step, quartz hydrogen loading can be completed within a short time, and the concentration of hydrogen molecules in the synthetic quartz glass meets characteristic distribution, so that the obtained hydrogen-containing synthetic quartz glass has excellent refractive index uniformity and ultraviolet radiation resistance.
Owner:CHANGFEI QUARTZ TECH (WUHAN) CO LTD

Production method for ammonia and production device

An ammonia production method involves producing ammonia from nitrogen molecules, in a production device for performing electrolysis, in the presence of a metal complex and a solid catalyst in a cathode, by providing electrons from a power source, protons from a proton source, and nitrogen molecules from a means for supplying nitrogen gas, and by providing hydrogen molecules by sending hydrogen molecules to an anode including sending hydrogen gas produced at the cathode to the anode. Concerning a metal complex and a solid catalyst, as the metal complex, rac-ethylenebis(4,5,6,7-tetrahydro-1-indenyl) zirconium dichloride or the like is used, and as the solid catalyst, a metal catalyst or the like is used.
Owner:NISSAN CHEM CORP

Electron beam application device

An electron beam application device according to the present invention is characterized by comprising: a photocathode 1 provided with a photoelectric film 10; a cathode heater 2 for heating the photocathode 1; an atomic hydrogen generating means 4 for generating atomic hydrogen by dissociating a hydrogen molecule; control means 7, 8 for controlling the surface cleaning of the surface of the photoelectric film 10; and a measuring means 18 for measuring the probe value of an electron beam probe 27 emitted from the photocathode 1. The present invention is further characterized in that, when the probe value measured by the measuring means 18 is lower than a predetermined value, the control means 7, 8 determine a surface cleaning condition of the photoelectric film 10, control the cathode heater 2 and the atomic hydrogen generating means 4 under the determined surface cleaning condition, and perform the surface cleaning of the surface of the photoelectric film 10.
Owner:HITACHI HIGH TECH CORP

Sidewall passivation layers and method of forming the same during high aspect ratio plasma etching

A method for forming a high aspect ratio (HAR) structure during a HAR etch process, the method comprises sequentially or simultaneously exposing the substrate to a vapor of an etchant including one or more hydrofluorocarbon or fluorocarbon compounds or one or more hydrogen-containing molecules and an additive compound, the substrate having a film disposed thereon and a patterned mask layer disposed on the film; activating a plasma to produce activated one or more hydrofluorocarbon or fluorocarbon compounds or activated one or more hydrogen-containing molecules and an activated additive compound; and allowing an etching reaction to proceed between the film uncovered by the patterned mask layer and the activated hydrofluorocarbon or fluorocarbon compounds or the activated one or more hydrogen-containing molecules and the activated additive compound to selectively etch the film from the patterned mask layer, thereby forming the HAR patterned structure.
Owner:LAIR LIQUIDE SA POUR LETUDE & LEXPLOITATION DES PROCEDES GEORGES CLAUDE +1

Generation device

The present invention efficiently generates appropriate amounts of helium 3 and oxygen 18. This generation device (1) for generating helium 3 and oxygen 18 by reacting hydrogen and water comprises: a first electrode (3) composed of a first metal having a face-centered cubic lattice structure having crystal grain boundaries in which hydrogen is occluded; a second electrode (4) provided so as to face the first electrode (3); a chamber (2) for holding the first electrode (3) and the second electrode (4) so that an aqueous solution is present between the first electrode (3) and the second electrode (4); and a control unit (10) for vibrating the first electrode (3) and the second electrode (4) or vibrating the aqueous solution in a direction perpendicular to the orbital direction of a femto hydrogen molecule generated at the first electrode (3).
Owner:KODAMA NORIYUKI

Hydrogen separation

An apparatus includes a porous substrate and a multi-layer membrane. The porous substrate has a pore structure configured to allow diffusion of hydrogen molecules through the porous substrate. The multi-layer membrane is configured to, in response to contacting a hydrogen molecule present in the gas stream, split the hydrogen molecule into at least one of hydrogen atoms or protons. The multi-layer membrane is configured to allow passage of the hydrogen atoms or protons through the multi-layer membrane while blocking passage of compounds that may be present in the gas stream that are larger than hydrogen molecules. The hydrogen atoms or protons, after passing through the multi-layer membrane, combine to reform the hydrogen molecule. The multi-layer membrane includes a first metallic layer, an intermediate layer, and a second metallic layer.
Owner:SAUDI ARABIAN OIL CO

Water circulation device and circulation method for aquaculture pond

The invention relates to the field of aquaculture, and discloses an aquaculture pond water circulation device which comprises a hydrogen dissolving device, an oxygen dissolving device, a water supply mechanism, a disinfection device and a filtering device. The oxygen dissolving device is used for enabling oxygen to react with water received from the culture pond to generate high-oxygen water, the culture pond is used for receiving hydrogen water and the high-oxygen water, and the disinfection device and the filtering device are matched to modify the water quality environment of the culture pond. A water environment-dissolved oxygen-hydrogen concentration triple feedback mechanism is innovatively introduced, the biological effectiveness of hydrogen molecules is maintained while microbial metabolism energy consumption is reduced, hydrogen water is matched with disinfection and filtration to inhibit excessive proliferation of microorganisms, water quality is remarkably optimized through filtration and ultraviolet disinfection, and the biological efficiency of the hydrogen water is maximized.
Owner:GUANGDONG YONGHUA COMM TECH CO LTD

Preparation method of quartz glass for photoetching

The invention relates to a preparation method of quartz glass for photoetching, and belongs to the technical field of quartz glass. The preparation method comprises the following steps: S1, carrying out silicon dioxide loose body deposition by adopting VAD deposition equipment; in the deposition process, the silicon dioxide loose body does autorotation motion and revolution motion; s2, sintering the silicon dioxide loose body by adopting a sintering furnace to obtain a quartz glass ingot; s3, carrying out thermal modification treatment on the quartz glass ingot by adopting a groove sinking furnace; S4, carrying out annealing treatment on the quartz glass ingot subjected to thermal modification by adopting an annealing furnace; and S5, carrying out hydrogen permeation treatment on the annealed quartz glass by adopting a hydrogen permeation furnace to obtain the quartz glass for photoetching. According to the preparation method, the density distribution is improved through a loose body deposition procedure, the problems existing in the aspects of uniformity and defect control in a normal-pressure sintering mode are solved by regulating and controlling the dehydration and impurity removal reaction rate, and uniform distribution of hydrogen molecules is achieved through sectional type hydrogen loading.
Owner:JIANGSU HENGXIN QUARTZ TECH CO LTD +1

Application of hydrogen molecules in preparation of product for promoting extracellular matrix accumulation

An application of hydrogen molecules in the preparation of a product for promoting extracellular matrix accumulation. One or more hydrogen molecule intervention means may be used in combination, to increase extracellular matrix accumulation, promote wound healing, or improve skin condition. Hydrogen molecules are used as safe and effective gas molecules, and may be applied to multiple fields such as tissue / organ repair, wound healing and skin care.
Owner:BEIJING UNIV OF TECH

Method, Apparatus, and Device for Evaluating Dynamic Diffusion of Natural Hydrogen in Rock Pores

The application provides a method, an apparatus and a device for evaluating a dynamic diffusion of natural hydrogen in rock pores. The method includes: performing, at a target pressure and a target temperature, a simulation calculation of a natural hydrogen adsorption based on a pre-constructed pore model of a rock to be evaluated, and determining an average number of hydrogen molecules adsorbed in the rock pores when the natural hydrogen is saturated at the target pressure and the target temperature; determining a natural hydrogen content, based on lithologic parameters, the average number of hydrogen molecules, the target pressure and the target temperature; adding one or more preset gases to the pre-constructed pore model, determining a loss content of the natural hydrogen, and determining a diffusion coefficient of the natural hydrogen; determining a diffusion evaluation parameter, based on the natural hydrogen content, the loss content and the diffusion coefficient.
Owner:CHINA UNIV OF MINING & TECH (BEIJING) +1

Environment-friendly chemical-resistant high-pressure hydrogen transmission and storage coating and preparation method thereof

The invention relates to an environment-friendly chemical-resistant high-pressure hydrogen transmission and storage coating and a preparation method thereof, and belongs to the technical field of hydrogen permeation resistance. Montmorillonite is modified by methyl dodecyl bis (hydroxyethyl) ammonium chloride, and zirconium oxide is deposited on the surface of the montmorillonite to form the composite filler. According to the composite filler, the compatibility and dispersity with a polymer matrix are remarkably improved, hydrogen molecules are effectively adsorbed and anchored by using oxygen vacancies in zirconium dioxide, and diffusion and permeation of hydrogen are further hindered. The cellulose nanocrystals are modified through stearic acid, hydrophobic groups are successfully introduced, the agglomeration phenomenon of the cellulose nanocrystals is remarkably weakened, and the dispersity and compatibility of the cellulose nanocrystals in a waterborne polyurethane emulsion are improved. The modified cellulose nanocrystals provide excellent hydrogen resistance, chemical resistance and mechanical strength for the coating, a highly compact structure is formed, hydrogen leakage is effectively prevented, pores and defects of the coating are reduced, and compactness and hydrogen resistance of the coating are improved.
Owner:SHANGHAI TIAN YANG STEEL TUBE

Method and system for synthesizing fuel from dilute carbon dioxide source

A method for producing a synthetic fuel from hydrogen and carbon dioxide comprises extracting hydrogen molecules from hydrogen compounds in a hydrogen feedstock to produce a hydrogen-containing fluid stream; extracting carbon dioxide molecules from a dilute gaseous mixture in a carbon dioxide feedstock to produce a carbon dioxide containing fluid stream; and processing the hydrogen and carbon dioxide containing fluid streams to produce a synthetic fuel. At least some thermal energy and / or material used for at least one of the steps of extracting hydrogen molecules, extracting carbon dioxide molecules, and processing the hydrogen and carbon dioxide containing fluid streams is obtained from thermal energy and / or material produced by another one of the steps of extracting hydrogen molecules, extracting carbon dioxide molecules, and processing the hydrogen and carbon dioxide containing fluid streams.
Owner:CARBON ENG ULC

Process for preparing carbon monoxide (CO) and molecular hydrogen (H2) from a textile material

The present invention relates to a process for preparing carbon monoxide (CO) and molecular hydrogen (H2) from a textile material, processes for preparing valuable components using one or more of the prepared CO and H2, and a recycling unit for carrying out said process for preparing CO and H2 from a textile material.
Owner:BASF SE

Superconducting hydride materials and methods of making and identifying same

Compositions of matter and methods of identifying and making compositions of matter are disclosed. Some embodiments disclose making and chemically and / or compositionally tuning superconducting hydride materials. Some embodiments disclose an apparatus for making and compositionally tuning superconducting materials. Some embodiments disclose a composition of matter including a solid hydride exhibiting superconductivity at a temperature of at least 150 kelvin at an ambient pressure below 180 gigapascals, or at a temperature of at least 261 kelvin. In one or more embodiments, the superconductor includes a covalent metal hydride having at least three different chemical elements wherein an inter-atomic distance between the hydrogen in the covalent metal hydride is in a range of 1.1-2 angstroms. In yet further examples, the superconductor is formed using molecular exchange and compression of a Van der Waals solid. In yet further examples, the superconductor comprises molecular hydrogen disposed in 1-dimensional channels. These and other embodiments are disclosed herein.
Owner:UNIVERSITY OF ROCHESTER +1

Hydrogen separation

An apparatus includes a porous substrate and a multi-layer membrane. The porous substrate has a pore structure configured to allow diffusion of hydrogen molecules through the porous substrate. The multi-layer membrane is configured to, in response to contacting a hydrogen molecule present in the gas stream, split the hydrogen molecule into at least one of hydrogen atoms or protons. The multi-layer membrane is configured to allow passage of the hydrogen atoms or protons through the multi-layer membrane while blocking passage of compounds that may be present in the gas stream that are larger than hydrogen molecules. The hydrogen atoms or protons, after passing through the multi-layer membrane, combine to reform the hydrogen molecule. The multi-layer membrane includes a first metallic layer, an intermediate layer, and a second metallic layer.
Owner:SAUDI ARABIAN OIL CO

System and method for making green hydrogen

A system and method of making hydrogen from water. A reaction vessel is provided with an outer shell, a central shaft, and concentric inner tubes separated by annular spaces. Water is delivered to the annular spaces by a water pump through an inlet defined in the reaction vessel. The water courses along a tortuous flow path. That path begins at an inner annular space around a central shaft. It ends at an outer annular space. The water emerges from the reaction vessel through an outlet associated with a manifold. A vibratory stimulus is applied to the reaction vessel and water. Water molecules are dissociated into hydrogen molecules and oxygen atoms. These reaction products are delivered through the manifold along an effluent flow path to a receiving pressure vessel before deployment to a sub-assembly for harnessing clean energy.
Owner:HYDROMICS LLC

Core-shell type hydrogel hydrogen sensing particle based on gasochromic effect

The invention discloses a core-shell type hydrogel hydrogen sensing particle based on a gasochromic effect. A shell layer of the core-shell type hydrogel particle is a catalyst layer, the catalyst layer is composed of a hydrogel compact network embedded with a hydrogen sensitive metal material, and the hydrogen sensitive metal material can decompose hydrogen molecules into hydrogen atoms; a core layer of the core-shell type hydrogel particle is a color changing layer, the color changing layer is composed of a hydrogel loose network embedded with a metal oxide semiconductor material, lattice cations in the metal oxide semiconductor material can react with hydrogen atoms, the valence state of metal oxide is changed, and then macroscopic color change is generated; therefore, effective sensing of hydrogen is realized. The hydrogen-sensitive metal material is embedded into a compact hydrogel network structure, so that the hydrogen-sensitive metal material is effectively prevented from being in direct contact with the external environment, and the environmental adaptability of the hydrogen sensor is remarkably enhanced.
Owner:CHINA JILIANG UNIV

Preparation method of hydrogen molecule mask containing liquid organic hydrogen slow-release material

The invention relates to the technical field of cosmetics, in particular to a preparation method of a hydrogen molecule mask containing a liquid organic hydrogen sustained-release material. The preparation method comprises the following steps: (1) preparing an oil phase; (2) preparing a water phase; and (3) preparing the hydrogen molecule mask. The invention has the following technical advantages: (1) a water-phase formula system can react with an oil phase at normal temperature and safely and stably generate hydrogen, the formula system is safe and harmless to skin, the problems of difficult reaction conditions (high temperature or strong alkali) and uncontrollable hydrogen desorption speed of hydrogen-containing silicone oil are solved, and the water-phase formula system has the advantage of high compatibility with skin; test data show that hydrogen production can be maintained for at least 4 hours, the solution hydrogen concentration reaches 300 ppb or above, and the formula system reacts at normal temperature, is gentle and stable in hydrogen desorption speed and good in effect. (2) the liquid organic hydrogen sustained-release material is applied to the mask product for the first time, and feasibility is provided for application of the organic hydrogen sustained-release material for external hydrogen medical cosmetology in the mask product.
Owner:SUZHOU QINGDE HYDROGEN ENERGY TECH CO LTD

Determination method, quality assurance method, electrolysis device, and electrolysis method

A determination method determines whether or not target molecules including elemental hydrogen are electrolytic hydrogen-containing molecules which include: hydrogen molecules produced by water electrolysis; or molecules produced using the hydrogen molecules as a raw material. In the determination method, the method includes determining that the target molecules are the electrolytic hydrogen-containing molecules when an abundance ratio of deuterium to light hydrogen in the target molecules is less than or equal to a predetermined threshold which is smaller than an abundance ratio of deuterium to light hydrogen in nature.
Owner:IHI CORP

Method for producing hydrogen molecules by energy radiation

The present invention relates to a method for producing hydrogen by energy radiation, comprising: contacting a composite catalyst with at least one hydrogen-containing source, and energy radiating the composite catalyst and the hydrogen-containing source to produce hydrogen molecules, wherein the composite catalyst comprises at least one nano-substrate structure and at least one atomic site, the atomic site comprising one or more than two chemical elements of Ru, Rh, Ag, Au, Pt, Pd, Os, Ir.
Owner:BEIJING GUANGHE HYDROGEN ENERGY TECH CO LTD

Electric field enhanced underground hydrogen storage system and method

The invention belongs to the technical field of underground hydrogen storage engineering, and particularly discloses an electric field enhanced underground hydrogen storage system and method. The method is used for solving the problems of low injection-production efficiency and small hydrogen storage capacity of a conventional injection-production mode in the current underground hydrogen storage project. Comprising an injection-production well, a first electrode column module and a second electrode column module, the injection-production well is used for injection and production of hydrogen, the first electrode column module represents one electrode of an electric field, and the second electrode column module represents the other opposite electrode of the electric field; the first electrode column module and the second electrode column module are respectively provided with equal quantity of charges with different numbers and are positioned on two sides with the same distance from an injection-production well, and a non-uniform electric field is formed in a reservoir. By applying an extra electric field, hydrogen molecules are polarized, induced dipoles are generated, then under the action of the electric field, the hydrogen flowing speed is increased, the hydrogen storage capacity is increased, and the hydrogen injection and production efficiency is improved.
Owner:CHINA UNIV OF PETROLEUM (EAST CHINA)

Multilayer composite membrane for hydrogen separation

A device includes a porous substrate and a multilayer film. The porous substrate has a pore structure configured to allow hydrogen molecules to diffuse through the porous substrate. The multilayer film is configured to split hydrogen molecules into at least one of hydrogen atoms or protons in response to contacting the hydrogen molecules in the gas stream. The multilayer film is configured to allow passage of hydrogen atoms or protons through the multilayer film while blocking passage of larger compounds than hydrogen molecules that may be present in the gas stream. The hydrogen atoms or protons bind after passing through the multilayer film to reform hydrogen molecules. The multilayer film includes a first metal layer, an intermediate layer, and a second metal layer.
Owner:SAUDI ARABIAN OIL CO

Control system for replacement of pooled hydrogen molecules in fuel cell vehicle

A control system for a vehicle including a fuel cell system includes at least one of a cooling fan and an aerodynamic device configured to selectively increase airflow below a hood of the vehicle. The thermal management controller is configured to control the at least one of the cooling fan and the aerodynamic device in response to a sensed temperature of a coolant of a coolant system of the vehicle. A sensor is configured to sense a concentration of hydrogen molecules below a hood of the vehicle. The hydrogen molecule airflow controller is configured to, using the at least one of the cooling fan and the aerodynamic device, selectively request additional airflow from the thermal management controller in response to a sensed concentration of hydrogen molecules below a hood of the vehicle being greater than a predetermined concentration.
Owner:GM GLOBAL TECHNOLOGY OPERATIONS LLC

Preparation method of high-pressure hydrogen permeation resistant polymer rubber sealing product

The application discloses a preparation method of high-pressure hydrogen permeation resistant polymer rubber sealing product, and relates to the technical field of rubber sealing, and comprises the following steps: S1, obtaining plasticated rubber; S2, obtaining mixed rubber; S3, placing the mixed rubber obtained in the step S2 on a vulcanizing machine to perform pre-vulcanization, passing through thin passages for three times, and performing secondary vulcanization, and the high-pressure hydrogen permeation resistant polymer rubber sealing product is obtained; the high-pressure hydrogen permeation resistant polymer rubber sealing product prepared by the application can be applied to various industrial fields, and plays an important role in high-temperature and high-pressure occasions. In the hydrogen energy field, due to the fact that hydrogen molecules are extremely small and highly active, hydrogen is easy to penetrate into many materials, therefore, the raw materials for preparing the rubber sealing product are greatly improved and the usage is optimized, so that the prepared rubber sealing product not only has excellent chemical resistance and high-temperature resistance, but also has good air tightness and high-pressure hydrogen permeation resistance in a high-pressure hydrogen medium environment.
Owner:ANHUI TONGFENG RUBBER & PLASTIC IND

A humidity gain film for a molybdenum trioxide hydrogen sensor

The present application belongs to the field of gas sensing technology, and relates to a hydrogen sensor, and provides a humidity gain film of a molybdenum trioxide hydrogen sensor, which is used for solving the problems of slow response time and sensitivity decline of the existing hydrogen sensor caused by the influence of environmental humidity, and is jointly formed with a palladium-based hydrogen-sensitive film and a substrate to form the hydrogen sensor. Through the design of a thermal evaporation process, a molybdenum trioxide film with a thickness of 2-10 nm and a non-continuous nano-island structure on the surface is successfully deposited on the surface of the palladium-based hydrogen-sensitive film to serve as the humidity gain film. Through the unique reverse hydrogen release effect of the molybdenum trioxide film in a humidity environment, hydrogen atoms are accelerated to contact the active sites on the surface of the palladium film, and the influence of water molecules on the response speed of the palladium-based hydrogen sensor is weakened, that is, while allowing hydrogen molecules to diffuse through to the surface of the palladium-based hydrogen-sensitive film, the diffusion of water molecules is inhibited on the surface of the humidity gain film, and finally the target of rapid detection of hydrogen leakage in a humidity environment is achieved.
Owner:UNIV OF ELECTRONICS SCI & TECH OF CHINA

Hydrogen storage container with metal-based hydrogen storage fibers

PendingCN122162017AHydrogenMultiple metal hydridesPhysical chemistryHydrogen molecule
Metal-based hydrogen storage fibers capable of selectively absorbing and desorbing / releasing hydrogen gas, and hydrogen storage vessels comprising the fibers, wherein the fibers are preferably arranged in a fabric. The fabric is a porous structure with a large surface area, which is well suited for hydrogen storage and transport. A hydrogen storage system is provided with attractive properties. Hydrogen storage in metal hydride fibers provides a compact and safe method of hydrogen storage, wherein hydrogen molecules in the gas phase can be adsorbed on the surface of the fibers, thereby forming metal hydrides, or dissociated into individual hydrogen atoms, which can further diffuse into the bulk of the metal hydride fiber and occupy sites in the metal hydride fiber matrix.
Owner:TEKNOR APEX COMPANY

Organic liquid hydrogen storage molecule design method and device

The invention discloses an organic liquid hydrogen storage molecule design method and device. The method comprises the following steps: acquiring a first data set containing organic liquid molecule physicochemical characteristic information; constructing a splicing code based on a molecular structure in the first data set to obtain a second data set; the splicing code comprises a dehydrogenation molecule structure and a hydrogenation molecule structure; constructing a regression prediction model, and training by using the second data set; constructing a molecular design model, splicing the code input, and generating and screening new hydrogen storage molecules; inputting the new hydrogen storage molecules into the trained regression prediction model, and predicting the addition / dehydrogenation capability of the new hydrogen storage molecules to obtain a prediction result; and screening the molecule with the best hydrogen storage capacity based on the prediction result. By using GNN model regression prediction and VAE model molecular design, a new method is provided for novel organic liquid hydrogen storage molecular design.
Owner:SOUTHEAST UNIV

Prediction method and application of diffusion behavior of hydrogen in pore scale of water-containing clay minerals

The application of prediction method for diffusion behavior of underground hydrogen in pore scale of water-containing clay mineral belongs to the technical field of underground hydrogen energy storage and unconventional gas migration prediction, and the key point is to fill water molecules and salt ions into the pores according to the target water saturation and salinity; the initial model of the water-containing clay mineral pores is pre-equilibrated by the molecular dynamics method; hydrogen molecules are filled under the given temperature and pressure conditions by the grand canonical Monte Carlo method, and the hydrogen pressure is corrected by the SRK-EOS state equation; the hydrogen diffusion simulation is carried out by the molecular dynamics method with temperature and fugacity as input parameters, the mean square displacement of hydrogen in the pores is calculated, and the self-diffusion coefficient is obtained; the application can quantitatively characterize the diffusion rate change rule of hydrogen in the clay pores under different water film thickness, salinity and temperature and pressure conditions, and reveal the diffusion inflection point, diffusion inhibition stage and migration restriction mechanism caused by the water film or water bridge structure.
Owner:DALIAN UNIV OF TECH