81 results about "Hydrogen molecule" patented technology

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

The application relates to the technical field of hydrogen storage performance calculation and evaluation, and discloses a solid hydrogen storage material hydrogen storage performance calculation and evaluation method and system, which comprises the following steps: using a functional density theory and a molecular dynamics method, constructing a material microcosmic model, and analyzing and designing the mechanical properties, electronic distribution, heat conduction performance and thermal stability of the material itself; calculating the adsorption state and adsorption energy of hydrogen molecules on the hydrogen storage material, and the hydrogen adsorption amount of the material under different pressures and temperatures, so as to calculate the hydrogen adsorption performance of the newly designed hydrogen storage material; and drawing a hydrogen adsorption kinetics curve of the solid hydrogen storage material, so as to calculate and evaluate the hydrogen storage kinetics performance of the material. The system comprises a performance analysis module, a performance calculation module and a performance evaluation module. The application can comprehensively improve the research and development efficiency and hydrogen storage performance of the solid hydrogen storage material in theory and actual application. Each step provides important theoretical support and data basis when solving different technical challenges.

This invention provides a multi-scale neighborhood synergistic catalyst, its preparation method, and its applications. The method uses nitrogen-doped carbon nanotubes (NCNTs) as a structural platform, achieving precise construction of Al diatomic sites through vapor-phase migration, trapping, and reduction fixation of volatile metal precursors. Furthermore, it combines secondary vapor-phase deposition to drive the surface deposition and nucleation of metal-containing Y species, resulting in in-situ growth into metal nanoclusters to obtain Al2-Y. NC / NCNT catalyst. In this catalyst, Al species are atomically dispersed and exhibit coordination unsaturation, while metallic Y is anchored to its neighboring interface in the form of nanoclusters. Both maintain a stable nearest-neighbor structure under the confinement and anchoring effect of carbon nanotube doping sites. The Al2 sites can regulate the selective adsorption configuration and electronic state of reaction intermediates, while the Y nanoclusters provide efficient hydrogen molecule activation and overflow hydrogen supply channels. Together, they lower the energy barrier of key hydrogenation steps and suppress excessive hydrogenation side reactions. This invention features mild conditions, a simple process, and exhibits excellent hydrogenation activity and selectivity.

The invention discloses a non-invasive hydrogen injection device, and relates to the technical field of non-invasive hydrogen injection, the non-invasive hydrogen injection device comprises a machine shell, a pressure container cylinder is embedded in the upper end face of the machine shell, a detachable container cylinder cover is arranged at an opening of the upper end of the pressure container cylinder, and the space in the pressure container cylinder is used for temporarily sealing and placing a container to be injected with hydrogen; the bottom wall of the pressure container is connected with an electrolytic hydrogen production device, a circuit control board is integrated on the back face of the control screen, and the electrolytic hydrogen production device is electrically connected with the circuit control board through a wire. Hydrogen and oxygen are generated in clean water in a container in a PEM electrolysis mode, the hydrogen and the oxygen are separated, the oxygen is discharged through a pressure relief device, the hydrogen is continuously increased to form the pressure of 0.5-0.6 MPa, hydrogen molecules permeate into a sealed package from the outside under the action of the pressure due to the fact that the particle size of the hydrogen molecules is small, the original sealed package is not damaged, and the service life of the sealed package is prolonged. Therefore, the hydrogen can permeate into the sealed plastic package in a non-invasive mode, and the hydrogen can be injected without damaging the sealing performance of the plastic container.

A reactor is configured to electrochemically convert hydrogen sulfide to produce hydrogen. The reactor includes a first shell, a second shell, a hydrogen-permeable electrode, and a check valve. The first shell defines a first chamber. The first shell defines a first inlet for water, a second inlet for hydrogen sulfide, and a first outlet for hydrogen sulfide. The second shell defines a second chamber isolated from the first chamber. The second chamber stores hydrogen molecules. The hydrogen-permeable electrode is at least partially disposed within the first chamber. The hydrogen-permeable electrode is permeable to hydrogen atoms originating from the hydrogen sulfide. The check valve allows flow of hydrogen molecules, formed from the hydrogen atoms that have permeated into the hydrogen-permeable electrode, into the second chamber while preventing flow of hydrogen molecules back out from the second chamber through the check valve.

The application discloses a kind of methanol reforming and hydrogen adsorption integrated multi-field coupling reactor and the continuous hydrogen production system and hydrogen production method with it.The reactor of the application couples reforming reaction cavity, adsorption cavity, desorption cavity, and designs the inner and outer two layers of adsorbent bed layer, and the inner layer adsorption cavity is adsorbed hydrogen-rich, and the outer layer desorption cavity is responsible for desorption regeneration, hydrogen molecules pass through adsorbent lattice and diffuse from inner layer to outer layer in situ under the driving of concentration gradient, this structure allows adsorption and desorption process to be separated in space but closely coupled, without interrupting reforming reaction, to realize the dynamic cycle of adsorbent adsorption-migration-desorption, lay the foundation for continuous operation, through innovative structure and material matching, realize the efficient coupling of methanol reforming and hydrogen selective adsorption in the uniform temperature zone of reforming reaction temperature.

Hollow porous spherical nano nickel powder with the surface coated with magnesium metal is adopted as a hydrogen adsorption material and is filled in a hydrogen storage tank, a steel wool filter layer covers the upper layer, a small number of through-hole magnetic sheets are placed in the filter layer, and the through-hole magnetic sheets and the steel wool form a magnetic filter layer together; nano nickel powder escaping in the hydrogen desorption process can be adsorbed and filtered; under the pressurization condition, hydrogen molecules on the inner surface of the hollow spherical nano nickel powder are closely stacked, similar to a quasi-liquid condition, so that the hydrogen storage capacity is greatly improved; a magnesium metal coating layer is arranged on the outer surface of the hollow porous spherical nano nickel powder, an MgH2 compound can be formed, hydrogen molecules are easily adsorbed on the surface of the magnesium metal coating layer, the overall hydrogen storage capacity can be improved, heating and cooling conditions are not needed, and convenience and practicability are achieved.

A system and method for producing hydrogen from water. A reaction vessel has a housing, a central shaft, and a concentric inner tube separated by an annular space. Water is delivered by a water pump to the annular space through an inlet defined on the reaction vessel. The water flows along a tortuous flow path. The path begins in the inner annular space around the central shaft. It ends in the outer annular space. The water is expelled from the reaction vessel through an outlet associated with a manifold. A vibratory stimulus is applied to the reaction vessel and the water. Water molecules dissociate into hydrogen molecules and oxygen atoms. These reaction products are delivered through the manifold along an effluent flow path to a receiving pressure vessel and then deployed into subassemblies to utilize clean energy.

The invention relates to the technical field of functional materials, in particular to a composite material for preparing hydrogen-rich water and a preparation method and application thereof, and the composite material is prepared by mixing tourmaline and forsterite according to the mass ratio of (1: 9)-(4: 6), grinding and sintering at high temperature. The material has the beneficial effects that when the material is in contact with water, the material can synergistically and continuously release high-concentration hydrogen molecules (the hydrogen value can reach more than 3000ppb), the escape of the high-concentration hydrogen molecules is effectively slowed down, and the shelf life of hydrogen-rich water is remarkably prolonged. Meanwhile, the material can emit far infrared rays of 4-16 microns, so that the treated water is weakly alkaline (pH is about 8.5) and low in total dissolved solid content (TDS is about 20), and a small molecular group water structure is formed. The invention further provides a preparation method of the material, and the preparation method is simple in process and environmentally friendly. The composite material can be widely applied to preparation of health-care drinking water and functional drinks or used as a filling material of a water treatment filter element, and has the advantages of high efficiency, stability, integration of multiple functions, safety and convenience.

A cognitive symbolic execution system for hydrogen infrastructure is disclosed, enabling lawful, ethics-gated, and treaty-verifiable hydrogen generation, storage, and distribution. The system includes a symbolic cognition kernel, a consent-indexed actuator firewall, and a treaty DAG enforcing national, environmental, and humanitarian policy overlays. Every hydrogen molecule is tokenized with a post-quantum identity hash linked to oath-indexed usage intent and symbolic moral predicates. Human—AGI negotiation modules, EEG consent channels, and zero-knowledge arbitration protocols govern hydrogen flow, deferral, or rerouting. Hydrogen reactors, pipelines, and vehicles are granted activation only upon satisfaction of multi-party treaty conditions, emotional risk assessments, and symbolic affordance filters. A Merkle-secured narrative ledger records every action, enabling post-hoc audit, rollback, and jurisdictional override. Applications include battlefield treaty enforcement, civilian disaster routing, carbon-credit-bound storage, and AGI-governed global hydrogen exchange. This invention elevates hydrogen into a sovereign, symbolic agent substrate—capable of obeying ethics, negotiating policy, and executing only under verifiable, lawful cognition.

A chip defect modifying device and a chip defect modifying method allow carbon dioxide to be in a supercritical state, enhance a passivation effect of hydrogen on the chip, heat a surface of the chip with microwaves emitted by a microwave module, and further promote a diffusion of hydrogen molecules and atoms in the chip. Sound waves emitted by the ultrasonic module act with a supercritical fluid of the carbon dioxide, causing cavitation of the supercritical fluid, which promotes the diffusion of hydrogen molecules and atoms in the chip. An activator is added to adsorb the hydrogen molecules, which adsorb onto metal positions on a surface of platinum, thereby forming hydrogen atoms and achieving a decomposition of the hydrogen molecules. The number of the hydrogen atoms increases, which promotes a formation of covalent bonds between the hydrogen atoms and atoms in the chip, and thereby enhancing the passivation effect.

The present disclosure provides a hydrogen sensor, comprising: a substrate; a sensing film disposed on a first surface of the substrate, including a catalyst for decomposing hydrogen molecules and tungsten oxide; a pair of electrodes disposed on the first surface of the substrate in contact with the sensing film; and an IC tag connected to the pair of electrodes, the IC tag including: an IC chip; an antenna connected to the IC chip; and a pair of sensor terminals connected to the IC chip and to the pair of electrodes, respectively, the IC chip being an open-circuit short-circuit type that determines a high resistance state when a resistance value between the sensor terminals is above a first threshold resistance value, and determines a low resistance state when the resistance value between the sensor terminals is below a second threshold resistance value that is less than the first threshold resistance value, the resistance value between the sensor terminals when the hydrogen concentration is zero being above the first threshold resistance value, and the resistance value between the sensor terminals when the hydrogen concentration is a set value being below the second threshold resistance value.

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.

The invention relates to the technical field of hydrogen storage materials, in particular to a MgH2-containing zirconium carbide-based MOF composite material as well as a preparation method and application thereof. The zirconium carbide-based MOF composite material comprises C / Zr-BTC and MgH2, the C / Zr-BTC is obtained by calcining and carbonizing Zr-BTC, and the specific surface area of the MOF composite material is 1105-1623 m < 2 > / g. The MgH2-C / Zr-BTC composite material is prepared by loading a high-capacity hydrogen storage material MgH2 to channels and surfaces of C / Zr-BTC through a mechanical ball milling method, in the composite material, the high specific surface of Zr-BTC provides rich physical adsorption sites for hydrogen molecules, the channel structure of Zr-BTC effectively limits growth and agglomeration of MgH2 nanoparticles, and the hydrogen absorption and desorption kinetics of MgH2 is remarkably improved; and meanwhile, by introducing MgH2, the total hydrogen storage capacity of the composite material is greatly improved.

The invention relates to a method for detecting an elevated hydrogen concentration in a liquid (2), preferably water and / or in a gas-liquid mixture (3), preferably containing water, the method comprises the following steps: a) decomposing hydrogen molecules contained in the liquid (2) and / or the gas-liquid mixture (3) into two H + protons in each case, b) measuring the pH value in the region of the decomposed hydrogen molecules, and c) comparing the measured pH value with the pH value of the liquid (2) and / or the gas-liquid mixture (3) measured at the earlier time. The invention further relates to a device (1) for carrying out the method and to an electrochemical device having a device (1) according to the invention.

According to the hydrogen storage composite material and the preparation method thereof, the hydrogen storage material is constructed in one step through a liquid phase reduction method, and the problems of component segregation and particle coarsening possibly caused by methods such as a traditional mechanical ball milling method are solved. In the hydrogen storage composite material prepared by the method, the dissociation and recombination of hydrogen molecules in the hydrogen storage material are greatly accelerated by utilizing the catalytic activity of the iron element, the dynamic performance of the hydrogen storage process is optimized, and the time of the hydrogen absorption and desorption process of the hydrogen storage material is shortened; the dehydrogenation initial temperature of the hydrogen storage composite material is greatly reduced by utilizing the electronic modulation effect of the niobium element, and the thermodynamic property of the material is effectively improved. Under the synergistic effect of the niobium element and iron element double active centers on the magnesium substrate, the thermodynamic performance, the dynamic performance and the cycling stability of the hydrogen storage composite material are further improved, and the hydrogen storage composite material shows excellent application prospects and potential commercial value.

The application discloses a monatomic Nb-substituted TiO2 / TiOF2 heterojunction for catalyzing hydrogenated magnesium, and belongs to the field of hydrogen storage alloy and preparation technology thereof. The application solves the problem of poor kinetics and thermodynamics performance of the existing MgH2 hydrogen storage material, and cannot meet the actual application requirements. The application mixes tetrabutyl titanate, niobium chloride and hydrofluoric acid by using a one-step solvothermal method, limits transition metal Nb in a monatomic form on the surface of a TiO2 / TiOF2 carrier to form stable active centers, effectively reduces the dissociation energy barrier of hydrogen molecules, enhances the diffusion capacity of hydrogen atoms in a Mg matrix, realizes the rapid hydrogen absorption and release of commercial MgH2 powder in a medium temperature zone, and inhibits particle growth and agglomeration in the cycle process, so that the hydrogen absorption and release temperature and reaction rate of the material are further optimized, and good synergistic catalysis effect and excellent cycle stability are exhibited.

The invention discloses an organic modified montmorillonite / nylon 6 composite barrier material and application thereof in a hydrogen storage bottle lining, and belongs to the technical field of polymer composite materials. The material takes nylon 6 as a matrix, and adopts a gradient barrier structure design: the inner layer contains 8wt% of ZIF-8-coated OMMT core-shell filler (ZIF-8 aperture is 0.34 nm), so that hydrogen molecular sieving is realized; the middle layer contains 5wt% of furan modified OMMT, so that the diffusion path is prolonged; the outer layer contains 3wt% of maleimide modified OMMT and a core-shell toughening agent, so that the impact resistance is improved. The preparation method comprises three-layer co-extrusion granulation, magnetic field induced blow molding (a 0.8 T axial magnetic field, a blow-up ratio of 2.8: 1) and dynamic interface curing (a Diels-Alder reaction is triggered). The three technical bottlenecks of permeability sudden rise, interface layering and low-temperature embrittlement in a high-pressure hydrogen storage scene are solved, the cycle life of the IV type hydrogen storage cylinder is prolonged by 300%, and the cost is reduced by 40%.

The invention discloses a method for predicting the diffusion behavior of underground hydrogen in the pore scale of water-containing clay minerals and application, and belongs to the technical field of underground hydrogen energy storage and unconventional gas migration prediction. Performing energy minimization and pre-balance on the initial pore model of the water-containing clay mineral through a molecular dynamics method; filling hydrogen molecules under given temperature and pressure conditions through a giant regular Monte Carlo method, and correcting the hydrogen pressure through an SRK-EOS state equation; according to the method, the temperature and the fugacity are used as input parameters, hydrogen diffusion simulation is carried out through a molecular dynamics method, the mean square displacement of hydrogen in the pores is calculated, and the self-diffusion coefficient is obtained, and the diffusion rate change rule of the hydrogen in the clay pores under the conditions of different water film thicknesses, salinity and temperature pressure can be quantitatively represented; diffusion inflection points, diffusion suppression stages and migration limitation mechanisms caused by water film or water bridge structures are disclosed.