42 results about "Adsorbed molecule" patented technology

The invention discloses a desulfurization adsorbent for low-carbon olefins and a preparation method of the desulfurization adsorbent, and belongs to the technical field of preparation of desulfurizers. The desulfurization adsorbent is a 13X molecular sieve with larger K < + > ion exchange aperture, so that the acting force between adsorbed molecules and cations is weak, the adsorption heat is obviously reduced, the olefin adsorption capacity is weakened, the polymerization reaction of olefin is obviously inhibited, the content of effective components can be further improved, and the adsorption capacity is improved; in the forming process of the adsorbent, a macromolecular polymer and a mesoporous high-thermal-conductivity material are added, local heat accumulation in the adsorption process is reduced, local temperature rise is relieved, meanwhile, heat is rapidly taken away, the adsorption temperature rise is small, and unexpected shutdown, olefin leakage and other dangers are avoided; in the forming process of the adsorbent, metal components are added, the adsorption sites of the adsorbent are further increased, the adsorption speed is higher, and the desulfurization efficiency is higher.

The invention relates to the technical field of molecular sieve and dust separation, in particular to a pressure swing adsorption molecular sieve screening device which is characterized in that the upper end of a screening pipe is connected with the upper end of a dust conveying pipe, and the lower end of the dust conveying pipe is connected with the lower end of a primary dust collecting pipe; a plurality of air supply branch pipes are arranged in the lower portion of the screening pipe, a feeding port is formed in one side of the upper portion of the screening pipe and connected with a feeding hopper, the feeding hopper is connected with a feeding pipe, and a transverse dispersing device and a longitudinal dispersing device are arranged on the inclined face in the feeding hopper. And a screen is arranged in the screening pipe, and the screen is arranged between the feeding port and the air supply branch pipe. The air supply branch pipe on the lower portion of the screening pipe provides airflow into the screening pipe and is used for separating dust and a molecular sieve; the device is used for regularly screening and removing pulverized molecular sieve particles, so that the requirement of frequent replacement caused by aging and crushing of the molecular sieve is reduced, the production cost is reduced, and the oxygen production efficiency and the product quality are improved.

The invention belongs to the technical field of SERS (Surface Enhanced Raman Scattering) detection, and relates to a preparation method of an Ag-Fe3O4 composite SERS substrate and application of the Ag-Fe3O4 composite SERS substrate in monitoring trace pollutants in water. Based on a plasma-semiconductor synergistic enhancement mechanism, cubic Fe3O4 nano particles with exposed {100} crystal faces are synthesized through a hydrothermal method, and the cubic Fe3O4 nano particles and Ag nano particles are subjected to ultrasonic-stirring to construct the Schottky heterojunction. The substrate creatively realizes dual-channel enhancement: the local surface plasmon resonance effect of Ag nanoparticles generates electromagnetic enhancement, the narrow band gap of Fe3O4 promotes photo-induced electrons to be transferred to Ag, an interface electric field is formed, and the polarizability of adsorption molecules is remarkably increased. When the probe is applied to detection of trace pollutants in a water body, the probe molecule RB is anchored on the surface of Fe3O4 through carboxyl, and the HOMO energy level of the probe molecule RB and the valence band top of Fe3O4 generate resonance charge transfer, so that the Raman cross section is improved. The detection limit of RB under 0.25 mW laser is increased by several orders of magnitude compared with that of a single Ag substrate.

The application relates to a functionalized glass for SERS detection and a preparation method thereof, characterized by the following steps: a. tetraethyl orthosilicate and oxalic acid are mixed into a 0.02-0.10 moL / L sol in anhydrous ethanol according to a molar ratio of 1:2-5, a stabilizer with a volume of 5-50% is added, and then the mixture is stirred and transferred into a four-necked flask; b. after being heated and stirred for 12-16 hours, an anhydrous ethanol emulsion of polystyrene small balls with a mass fraction of 5-20% and a volume of 6-18% is added; c. an anhydrous ethanol solution of a surfactant P123 with a total mass of 2-8% and a weight concentration of 3-8% is added, and then the mixture is stirred and aged; d. a wet film is prepared on a glass substrate, and then the wet film is dried and kept warm; (2) a nano-silver particle dispersion liquid with a concentration of 5-25 mg / mL is prepared; and (3) the glass substrate prepared in the step d is coated with the nano-silver particle dispersion liquid and dried. The application has the advantages of simple process and low cost; the surface of the porous structure silica nano-particles has a large number of nanoscale gap structures, which is beneficial to obtaining an enhanced silver nano-particle surface plasmon resonance electromagnetic field, and greatly enhances the Raman signal of the adsorbed molecules.

The invention belongs to the technical field of immunohistochemical detection, and discloses a modified composite sealing buffer solution as well as a preparation method and detection application thereof. The modified composite blocking buffer solution comprises a basic buffer system, a composite blocking agent, a nonionic detergent, an endogenous interferent blocking agent and an antibody stabilizer, wherein the basic buffer system provides a stable pH environment and ionic strength; the composite sealing agent firstly occupies a shielding site, and the background is lowered; the nonionic detergent destroys hydrophobic interaction, effectively elute and loosen adsorbed molecules, and promote dissolution of components with relatively strong hydrophobicity; the endogenous interferent blocker can be combined with a receptor firstly, so that non-specific combination of an antibody and the receptor is blocked, and the problem of specific background is solved; the antibody stabilizer can protect the activity of the detection reagent and maintain the stability, and the obtained modified composite sealing buffer solution and the kit thereof have the advantages of multiple cooperative sealing mechanisms, prospective blocking of endogenous interference, improvement of the stability, compatibility and high efficiency of the antibody and the like.

This invention relates to the field of spectroscopic testing technology, specifically to a membrane electrode, reaction cell, spectroscopic testing device, and their applications in an in-situ spectroscopic reaction cell under operating conditions. The membrane electrode comprises a light-transmitting ion-exchange membrane and two catalyst layers in contact with opposite sides of the ion-exchange membrane. At least one catalyst layer forms the catalyst-membrane reaction observation interface at its contact surface with the ion-exchange membrane. The other catalyst layer, opposite the catalyst-membrane reaction observation interface, has a light-transmitting aperture. This design exposes the catalyst-membrane reaction observation interface, allowing scattered light reflected from the interface to be collected by a spectrometer through the aperture. This enables in-situ observation of important conformational and microenvironmental information of adsorbed molecules at the catalyst-membrane reaction observation interface, thus providing an understanding of the reaction mechanism.

This invention belongs to the field of microbial electrochemistry and single-cell analysis technology, and specifically relates to a femtocoulomb-level single-bacterial surface charge imaging method and its application. This technology is based on electrochemiluminescence microscopy, utilizing the spontaneous enrichment of cationic ECL luminescent molecules by the electrostatic field of the negative charge on the bacterial surface, thereby non-destructively enhancing its ECL signal. By establishing a quantitative relationship between the ECL intensity enhancement ratio and the number of adsorbed molecules, and combining this with COMSOL simulation to determine the thickness of the luminescent layer, it achieves for the first time high-throughput, high spatiotemporal resolution dynamic quantitative measurement of femtocoulomb-level charges on the surface of a single living bacterium. The invented technology has high sensitivity, high resolution, and good biocompatibility, and can be used to reveal bacterial metabolic-charge regulation mechanisms, analyze synergistic electron transport pathways, and screen highly electroactive bacterial subpopulations in situ, providing a key tool for microbial electrochemical research.

The embodiment of the application discloses a kind of adsorption energy prediction method and related device, at least involve machine learning in artificial intelligence etc., can be applied to catalysis field, environmental catalysis, energy conversion, chemical production, biomedical scene etc..The method provided in the application embodiment can save computing time, improve prediction accuracy, speed up the development process of new materials.Moreover, the adsorption energy prediction method comprises: obtaining the target structure and element characteristics of the material to be predicted;According to the target structure of the material to be predicted, target distance information and target angle information are obtained;The target structure characteristics of the material to be predicted are determined based on the target distance information and the target angle information;The target structure characteristics and element characteristics are processed based on the preset machine learning model, and a prediction label is obtained, which is used to indicate the adsorption energy of the adsorption molecule in the material to be predicted.

The invention belongs to the field of chemical reagents, and particularly relates to a preparation method of alcohol-free acetone. The preparation method comprises the following steps: S1, carrying out primary adsorption by using a 4A molecular sieve and a 5A molecular sieve; s2, carrying out secondary adsorption by using a 4A molecular sieve, a 5A molecular sieve and a 10X molecular sieve; s3, adding sodium iodide into the acetone solution subjected to secondary adsorption treatment according to a solid-to-liquid ratio of 1: 4; s4, washing the crystal with absolute ether at least twice, then carrying out solid-liquid separation, and heating and distilling at 80-100 DEG C; s5, repeating S3 and S4, and carrying out secondary crystallization and crystal cleaning; s6, carrying out dehydration treatment on a crude product subjected to secondary distillation by using a 3A molecular sieve; and S7, carrying out rectification on the dehydrated crude product alcohol-free acetone in a temperature range of 80-100 DEG C. According to the technical scheme, before sodium iodide is added for adduct crystallization and purification, a step-by-step molecular sieve adsorption pretreatment process is introduced. According to the process, two molecular sieves with matched pore diameters and polarities are adopted, an industrial-grade acetone raw material is sequentially subjected to two times of adsorption treatment, and the purpose of synergistic purification is achieved by targeting different impurities.

A method for removing halogen ions adsorbed on the surface of a metal nanocrystal is characterized in that the halogen ions adsorbed on the surface of the metal are removed through strong adsorption of [BH4] <-> and H <-> released by hydroboron and the metal, and surface modification and effective dispersion of the metal nanocrystal are realized by introducing proper molecules (or groups) to be adsorbed on the surface. Therefore, removal of halogen ions on the metal surface, adsorption of specific molecules (or groups) and dispersion of metal nanocrystals are realized. According to the method, halogen ions on the metal surface can be removed and replaced, and then characteristic modification and effective dispersion on the surface of the metal nanocrystal are achieved.

The invention belongs to the technical field of gas detection pretreatment, and particularly relates to a multistage deep water removal pretreatment system for atmospheric trace gas detection. In order to efficiently remove water vapor and interference components in sample gas and solve the problem of interference of a high-humidity environment on quantitative analysis of trace gas, a four-stage cascade water removal structure is adopted, and the water removal limit of a single-stage technology is broken through through a physical synergistic mechanism of condensation (phase change dehumidification), membrane separation (selective permeation), cryogenic treatment (ultralow temperature capture) and adsorption (molecular sieve capture). The full-automatic deicing logic based on a fixed time period (non-temperature sensing) thoroughly avoids manual intervention.

The present invention relates to a flow cell for electrically controllable ad- and desorption of molecules from and into a liquid. Particularly, the present invention relates to a flow cell comprising a chamber comprising an inlet and an outlet which define therebetween a fluid path for the liquid and a volume for containing the liquid provided along said fluid path, the volume comprising a device comprising (a)two electrodes comprising a conductive surface, (b) a stationary phase between said two electrodes, wherein said stationary phase is not in direct contact with said electrodes, (c) a controller functionally associated with a power supply configured for applying and changing a voltage between said electrodes, wherein changing the voltage between said electrodes changes the affinity of molecules so as to adsorb said molecules to said stationary phase or desorb molecules from said stationary phase when said molecules are adsorbed to said stationary phase.

The application relates to the field of VOCs treatment, and discloses a VOCs adsorption molecular sieve, a preparation method and application thereof. The method comprises the following steps: 1) sequentially performing first ion exchange, calcination and second ion exchange on NaY molecular sieve to obtain NH4NaY molecular sieve; 2) performing hot-pressing treatment on the NH4NaY molecular sieve and water under the condition that the pressure is 0.1-0.7 MPa to obtain hot-pressing treated molecular sieve; and 3) performing acid treatment on the hot-pressing treated molecular sieve and acid. In step 1), the first ion exchange and the second ion exchange are performed under the condition that the pressure is 0.2-1.5 MPa. The method only needs to perform two ammonium ion exchanges and once calcination under the pressurized condition to prepare the NH4NaY molecular sieve with extremely high exchange degree, and further prepare the VOCs adsorption molecular sieve with excellent adsorption performance without long-time and multiple water vapor treatment at high temperature.

This invention relates to a method for preparing and applying an ordered silver nanoparticle@bismuth nanosheet@copper mesh array. First, bismuth nanosheets are grown on the surface of a copper mesh through an etching reaction using an immersion method. Then, silver nanoparticles are sputtered onto the surface of the bismuth nanosheets, resulting in an ordered silver nanoparticle@bismuth nanosheet@copper mesh array film. This array film is then immersed in a 4-p-aminobenzaldehyde (4-ABZ) solution, adsorbing 4-ABZ molecules onto the surface of the silver nanoparticle@bismuth nanosheet@copper mesh array as signal probe molecules. The silver nanoparticle@bismuth nanosheet@copper mesh array with adsorbed 4-ABZ molecules is then placed as a substrate in a packaging environment containing seafood, meat, or other meat-derived foods. The SERS signal intensity of the 4-ABZ molecules on the substrate surface is used to monitor the freshness of the meat-derived foods. As the freshness of the meat-derived foods decreases, the SERS signal of the 4-ABZ molecules on the substrate surface gradually decreases. Meanwhile, the silver nanoparticle@bismuth nanosheet@copper mesh array also exhibits excellent SERS signal response and signal uniformity for organic dye pollutant molecules such as rhodamine 6G and 4-aminobenzylthiophenol (4-ATP), and has important application prospects in the field of environmental monitoring.

The application discloses a KOH-loaded molybdenum disulfide photothermal catalyst and a preparation method and application thereof, relates to the technical field of photothermal catalytic reduction of CO2, and specifically comprises the following steps: obtaining a homogeneous solution by taking ammonium molybdate tetrahydrate and thiourea as raw materials, obtaining a mixed solution after hydrothermal treatment, performing centrifugal treatment, washing treatment and drying treatment, and then performing one-time calcination treatment to obtain molybdenum disulfide powder, and finally loading KOH to obtain the KOH-loaded molybdenum disulfide photothermal catalyst. The preparation method of the catalyst uses MoS2 with edge coordination unsaturation as a supporting carrier, and through loading of KOH, MoS2 is changed from inert basal plane dominance to high-activity defect structure / alkaline basal plane, the alkaline basal plane makes it easier to adsorb CO2 molecules, form intermediate products, and inhibit the phenomenon that the catalyst is deactivated due to sulfur oxidation loss in the catalytic process. Therefore, the photothermal catalyst has great potential in the reduction of CO2.

The present invention discloses a measuring device and a measuring method for competitive adsorption of multi-component cementitious materials. The measuring device includes several individual components of the measuring device and a test container. The test container contains a concrete simulated pore solution containing a polycarboxylate water-reducing agent, and the individual components of the measuring device are placed in the test container respectively. Each individual component of the measuring device includes a dialysis bag, which is used to allow water and polycarboxylate water-reducing agent to pass through during the adsorption test and to isolate the various components of the cementitious material from the solution in the beaker. The single component of the cementitious material is placed in the dialysis bag. Through this device, each component can fully adsorb PCE molecules and then be easily separated, so as to measure the adsorption amount of PCE molecules on each component separately. During the entire adsorption process, each sample will not interfere with each other, ensuring the consistency of the solution concentration. The competitive adsorption situation is judged by analyzing the adsorption amount of PCE molecules on each component.

The invention relates to the technical field of intelligent nanometer image analysis. The invention discloses an atomic-scale precision surface feature recognition and positioning method based on deep learning multi-modal image fusion, and the method can improve the recognition efficiency and accuracy of a plurality of adsorption molecules and defects on the surface of a crystal, and achieves the automatic recognition and precise positioning of the plurality of adsorption molecules and defects on the surface of the crystal. The method comprises the steps that a target fusion image is obtained, the target fusion image is formed by fusing a positive bias voltage scanning image and a negative bias voltage scanning image, and the positive bias voltage scanning image is an image of the surface of a crystal collected by a scanning tunneling microscope in a positive bias voltage mode; the negative bias scanning image is an image of the surface of the crystal collected by the scanning tunneling microscope in a negative bias mode; and inputting the target fusion image into an atomic-scale precision surface feature recognition and positioning model for positioning detection processing, and obtaining recognition and positioning results of various adsorption molecules and defects on the surface of the crystal.

The utility model discloses an efficient oxygen generation system capable of realizing heat exchange and energy recovery, which relates to the technical field of oxygen generation equipment and comprises an air compressor, a gas filter, an adsorption tower, a heat exchange component and an energy recovery component. Air is subjected to three-layer filtration by a gas filter and then enters a compressor, compressed air enters an adsorption tower, and a nitrogen strong adsorption molecular sieve is used for oxygen production. Waste gas of the adsorption tower is guided into the heat exchange component, cold air and hot waste gas are subjected to efficient heat exchange through a copper pipe and a spiral turbulent flow metal sheet in the heat exchange component, preheated air is recycled, and the waste gas subjected to heat exchange enters the energy recovery component to drive a turbine to drive a generator to generate electricity. Impurities in air are effectively removed, oxygen production purity and stable operation of equipment are guaranteed, energy consumption is greatly reduced through heat exchange and energy recovery, and the energy utilization rate is increased.

The invention belongs to the field of surface enhanced Raman scattering, and discloses a method for constructing an SERS (Surface Enhanced Raman Scattering) substrate with high-density hot spots based on capillary force for detecting TNT (Trinitrotoluene). The SERS hot spot is constructed on the basis of a periodic Ag-plated silicon nanorod array, target molecules are adsorbed by utilizing a periodic Ag-plated silicon nanorod array substrate, and then nanorods are mutually pulled together by utilizing capillary force generated by solvent volatilization to form a cluster, so that the gap SERS hot spot is generated. The periodic Ag-plated silicon nanorod array is based on a single-layer polystyrene microsphere template, a silicon nanorod array is obtained in a mode of combining reactive ion etching and metal-assisted chemical etching, and an Ag film is deposited in a magnetron sputtering mode to obtain the Ag-plated silicon nanorod array. When TNT is detected, after the substrate adsorbs TNT molecules, the nanorods are pulled together directly by capillary force to generate gap SERS hot spots, so that the detection efficiency is improved. The method for constructing the hot spots based on the external stress is simple, convenient and efficient, and has higher sensitivity and reproducibility.

The present invention belongs to the field of SERS detection technology, and specifically relates to a surface enhanced Raman probe based on ZIF-8 coated surface plasmon tungsten oxide and its preparation method and application. The present invention uses a solvothermal method to prepare oxygen vacancy doped plasmon WO 3‑x Nanowires, and then ZIF-8 coated WO prepared by electrostatic self-assembly 3‑x The composite structure is used as a Raman probe for the detection of 4'-mercaptobiphenyl nitrile molecules. On the one hand, it fully utilizes the molecular adsorption capacity of MOF to effectively enrich the target molecules, and at the same time, it can effectively enrich the target molecules through the plasmon WO 3‑x The strong local field significantly amplifies the Raman signal of the target molecule, thereby achieving high-sensitivity detection of the target molecule; secondly, the structural characteristics of MOF are used to form an electron transmission channel to promote WO 3‑x Thermal electron transfer, followed by efficient catalytic degradation of adsorbed molecules, enables green self-cleaning and reuse of the probe.

The present invention concerns a process for the separation of a gas mixture containing CO2 and at least one inert gaseous species, comprising (a) feeding the gas mixture into an adsorption column via a first inlet located at a first side of the column, wherein the adsorption column contains a solid CO2 sorbent loaded with H2O molecules and thereby desorbing H2O molecules and adsorbing CO2 molecules, to obtain a sorbent loaded with CO2 and an inert product stream; and then (b) feeding a stripping gas comprising H2O into the adsorption column via a second inlet located at a second side which is opposite to the first inlet, thereby stripping the sorbent and desorbing CO2 molecules and adsorbing H2O molecules, to obtain a sorbent loaded with H2O and the CO2 product stream, wherein the adsorption column is re-used in step (a) after being stripped in step (b). The invention also concerns an apparatus for performing the process according to the invention.

The utility model belongs to the technical field of lithium battery production auxiliary equipment, and particularly relates to a lithium battery NMP (N-Methyl Pyrrolidone) solution molecular sieve dewatering device which comprises a closed bin, a water inlet pipe is arranged in the closed bin, a molecular sieve filter pipe is arranged on the lower side of the water inlet pipe, a flow guide pipe is arranged on the lower side of the molecular sieve filter pipe, and the lower end of the flow guide pipe is connected with a distillation device. And an exhaust driving device is arranged on the distillation device. The molecular sieve filter tube is arranged, the 3-angstrom molecular sieve filter plate is arranged in the molecular sieve filter tube, the diameter of water molecules is about 2.6 angstrom, and NMP molecules are large (the diameter is about 5 angstrom), so that the 3-angstrom molecular sieve can better adsorb the water molecules, but cannot adsorb the NMP molecules, the water content of an NMP solution can be effectively reduced to below 10 ppm, and the water content of the NMP solution can be effectively reduced to below 10 ppm. An activated carbon adsorption filter plate is arranged, so that when the device exhausts air, the activated carbon adsorption filter plate can adsorb volatile NMP molecules, and the NMP molecules are prevented from leaking to the outside to cause harm to a human body.

The invention discloses a method for detecting amentoflavone in a juniper extract, and relates to the related field of juniper extract detection. The molecularly imprinted fiber test paper is combined with a photoacoustic acoustic microcavity detection technology, so that the detection of amentoflavone shows the comprehensive advantages of high sensitivity, high selectivity and quick response, on one hand, a specific recognition cavity is formed on the fiber surface by a molecularly imprinted polymer layer, and the specific recognition cavity is formed on the surface of the fiber; the test paper has an obvious selective adsorption effect on amentoflavone, and the interference of other polyphenol components in the juniper berry extract is obviously reduced; and on the other hand, the photoacoustic acoustics microcavity can amplify the photothermal conversion process of the adsorbed molecules, so that a weak thermal-acoustic signal is effectively enhanced, and the detection sensitivity far higher than that of a traditional spectrum method is obtained.

The invention relates to the field of gas layer resource evaluation, and provides a deep coal bed gas adsorption state proportion calculation method and system.The method comprises the steps that a coal matrix wall surface molecular model and a coal bed gas molecular model are established, molecular dynamics simulation is conducted on coal bed gas molecules and the coal matrix wall surface molecular model on the basis of the adsorption molecular model, and the coal bed gas adsorption state proportion is calculated. The method comprises the following steps: carrying out statistical analysis on a coalbed methane adsorption equilibrium track through density distribution calculation, fitting coalbed methane adsorption quantities under different pressures, fitting free coalbed methane physical property parameters through NIST database query, and calculating the free-state density of the coalbed methane according to a coalbed methane isothermal adsorption curve and a coalbed methane free-state density equation. And calculating the mass of the adsorption-state coal bed gas and the mass of the free-state coal bed gas to obtain the adsorption-state proportion of the coal bed gas. The precision and efficiency of the absolute adsorption quantity of the deep coal bed gas on the surface of the coal rock are improved.

The invention belongs to the technical field of perovskite solar cells, particularly provides a co-adsorption hole transport layer material and a perovskite solar cell, and aims to solve the problems of energy level mismatch, high defect state density, serious non-radiative recombination loss and the like of a buried interface in an existing trans-broadband gap perovskite solar cell. Therefore, the technical bottlenecks of device open-circuit voltage attenuation, filling factor reduction and poor performance and stability are overcome. According to the invention, aromatic co-adsorption molecules are introduced and form the co-adsorption hole transport layer material together with carbazolyl phosphonic acid self-assembly hole transport layer molecules, so that the characteristics of a buried interface can be optimized, the comprehensive performance of a device can be improved, and meanwhile, a perovskite solar cell containing the material is provided.

The invention relates to membranes for separation, removal, and / or concentration purposes. The object of the invention is the simple and reliable adsorption of the molecules and to simplify the desorption of target molecules that are adsorbed and chromatographically bonded on membranes, preferably without the addition of substances with a high ion content, such as acids, alkalis or salts. The object of the invention is also to develop a value that can be easily measured, which allows for an indication of the current and / or remaining binding capacity of the membrane during the adsorption process and / or the control thereof. The adsorption takes place on a charged membrane and desorption is achieved using physical, electromagnetic and / or the generation of electrical fields. This is carried out with a thin metal layer being applied to one or both sides of a positively or negatively charged membrane and a voltage is applied for desorption.

The invention discloses a material surface adsorption site identification and structure generation method based on topological mapping. According to the method, an initial structure file and a geometrically optimized structure file of a material with consistent atomic composition and identical atomic numbers are obtained, a surface atom set of the material and an atomic number corresponding to each surface atom are determined on the basis of the initial structure file, and matching is performed through the identical atomic numbers in the two files; and determining real space coordinates of each surface atom in the geometrically optimized structure, identifying adsorption sites and corresponding space coordinates based on the space coordinates of the surface atoms, generating adsorption molecules at corresponding positions of the adsorption sites to obtain an adsorption structure, and finally outputting a standard structure input file based on the adsorption structure. Meanwhile, the method can be expanded and applied to scenes such as electrochemical interface simulation, gas sensing response mechanism analysis and resource conversion process optimization, and has important scientific research value and wide industrial application prospect in cross field research.

The invention discloses an adsorption molecular sieve prepared from blast furnace slag and application of the adsorption molecular sieve in CO2 adsorption. The adsorption molecular sieve is prepared by the following steps: crushing blast furnace slag to obtain blast furnace slag particles; carrying out acid dissolution treatment on the blast furnace slag particles, and filtering to obtain filter residues as gel; mixing the gel with an aluminum source, a template agent, an alkali source and water to obtain a mixed solution; carrying out hydrothermal reaction treatment on the mixed solution, filtering, washing and drying to obtain an adsorption molecular sieve; the content of CaO in the gel ranges from 0.8 wt% to 10.7 wt%, and the content of MgO in the gel ranges from 0.1 wt% to 1.1 wt%. The filter residues obtained by acid dissolution of blast furnace slag particles are used as gel, and the calcium content and the magnesium content in the gel are controlled through raw material control, acid dissolution treatment and the like, so that the obtained molecular sieve has a very good effect in CO2 adsorption.

This invention discloses the application of ZIF-67 / nickel-doped plasma catalyst in atmospheric pressure plasma catalytic ammonia synthesis, and a method for atmospheric pressure plasma catalytic ammonia synthesis using the ZIF-67 / nickel-doped plasma catalyst. The Ni@ZIF-67 catalyst prepared in this invention has a high specific surface area, which improves the adsorption capacity for nitrogen, hydrogen, and ammonia products, thus promoting the hydrogenation reaction. The introduction of Ni increases the discharge power and energy efficiency in the reactor. The ZIF-67 framework adsorbs NH3 molecules, preventing them from being decomposed again by the external strong plasma, thereby increasing the net synthesis rate. The ammonia synthesis rate of this invention can reach as high as 289.45 µmol·g. ‑1 ·min- 1 The energy yield is as high as 1.83 g·kWh. ‑1 The efficiency of this invention is significantly higher than that of pure plasma and unmodified ZIF-67 systems. It significantly improves the ammonia synthesis rate and energy yield, and the catalyst has good structural stability, making it suitable for distributed green ammonia production.

A method for removing halogen ions adsorbed on the surface of metal nanocrystals, the method releases [BH4] ‑ and H ‑ from borohydride The strong adsorption of the metal removes the halogen ions adsorbed on the surface of the metal, and the surface modification and effective dispersion of the metal nanocrystals are achieved by introducing suitable surface-adsorbed molecules (or groups), thereby achieving the removal of halogen ions on the surface of the metal, the adsorption of specific molecules (or groups), and the dispersion of the metal nanocrystals. This method can achieve the removal and replacement of halogen ions on the surface of the metal, and then achieve the characteristic modification and effective dispersion of the surface of the metal nanocrystals.