17 results about "Bond breaking" patented technology

The invention provides a design and application of a power type electrolyte of a double-electric-layer capacitor, and the electrolyte comprises an organic solvent, an electrolyte salt and an additive. Wherein the additive has a general formula structure as shown in Figure 1: the additive has a strong electronegativity part and a strong electropositivity part, a proper chain length is adjusted between the two parts, so that the whole molecular size of the additive can be matched with the micropore diameter of the activated carbon, adsorption and desorption are facilitated, bond breaking is easy, and when part of pseudocapacitance is contributed through oxidation bond breaking, the performance of the additive is improved. According to the present invention, the positive electrode and the negative electrode can be preferentially adsorbed to the positive electrode and the negative electrode so as to form the regulation and the low polarity and high density interface, such that the ion association of the salt ions at the double electrode layer is reduced, the reduction of the liquid phase transmission internal resistance is achieved, the excellent power performance is further represented, and the capacity retention rate in the 125A large-rate cycle (the conventional current is 25A) is increased to 90.1% from 76.3%. In addition, the silicon-containing part formed by broken bonds can also synergistically remove HF generated by hydrolysis of salt anions BF4 <-> in the electrolyte, passivate Al foil and reduce the contact internal resistance of the aluminum conducting bar. The configuration of the additive introduced into the electrolyte is shown in the specification.

The invention relates to an evaluation method and system for a non-metallic material irradiation damage effect. The evaluation method comprises the following steps: constructing a geometric model according to material attributes of the non-metallic material, wherein the material attributes comprise chemical bonds; performing a simulation irradiation test on the geometric model by using a preset irradiation simulation environment and a preset irradiation physical model; calculating the bond breaking probability of the chemical bond according to the energy deposition information in the simulated irradiation test process; and obtaining the damage index of the non-metallic material according to the bond breaking probability. The evaluation efficiency and accuracy of the irradiation damage effect of the non-metallic material in the complex irradiation environment can be improved.

This invention discloses an environmentally adaptive high-energy-absorbing smart anti-corrosion coating and its preparation method, comprising: synthesizing a dipyrazole diamine chain extender, formulating a long-chain polymer backbone A and a catechol-terminated short-chain polymer B, and preparing a high-energy-absorbing smart anti-corrosion coating; the coating utilizes the interaction between dipyrazole and Zn in the long chain. 2+ Multiple coordination reduces the entropy increase effect of bond breaking and enhances energy dissipation; gradient hierarchical hydrogen bonds between long and short chains, in coordination with metal coordination bonds, act as sacrificial bonds to dissipate energy through stepwise breakage under external force; the slightly alkaline nature of seawater triggers deprotonation of catechols and reconstructs the coordination network, increasing crosslinking density and enhancing shielding; and the Fe released at the breakage site... 3+ By strongly coordinating with catechins to form a passivation layer in situ, and using its photothermal effect to drive the self-repair of the substrate, this invention solves the problem of the difficulty in simultaneously achieving high energy absorption, fatigue resistance, environmental response, efficient self-repair and intelligent corrosion prevention in offshore wind turbine tower coatings, which helps to extend the service life of wind turbine towers and ensure the reliability of the units.

This application discloses a multi-field coupled biomimetic pulverization and dynamic pyrolysis co-production biomass conversion system and process, including a raw material pretreatment unit, a pulverization unit, a pyrolysis reactor, a product recovery unit, an online detection unit for pulverization microstructure characteristics, and a pulverization-pyrolysis coupling matching central control unit connected in sequence. This application achieves targeted control of directional bond breaking and micropore structure of biomass fibers through the multi-field coupled biomimetic pulverization unit, overcoming the limitation of conventional pulverization which only uses apparent particle size as a control indicator. It effectively breaks the dense encapsulation structure of lignin, reduces the activation energy of biomass pyrolysis, and simultaneously reduces ineffective energy consumption in the pulverization stage. Through the pulverization-pyrolysis coupling matching central control unit, a precise matching model between pulverization microstructure characteristics and pyrolysis step-by-step operating conditions is established, breaking the current situation of independent separation between the pulverization and pyrolysis units, and realizing bidirectional closed-loop synergistic control of the two stages. This fundamentally solves the core problem of the lack of coupling matching mechanism in existing technologies.

Disclosed in the present invention are a system and method for preparing an aviation oil precursor from a microbial biomass residue by means of bond-breaking and reforming and catalytic pyrolysis. A gas inlet system comprises a carrier gas inlet, a nitrogen cylinder, an air cylinder, a nitrogen mass flow meter, an air mass flow meter, and a flow controller; a multi-stage pyrolysis catalysis system comprises a microbial biomass residue pusher, a first-stage heating section, a second-stage heating section, a third-stage heating section, a pyrolysis carbon collection tube, a bond-breaking catalyst bed, a shape-selective catalyst bed, a pyrolysis reactor, and a temperature controller; a product collection system comprises a fourth-stage condenser, a drying tube, and a gas collection bag. The method comprises: rapidly pyrolyzing a microbial biomass residue in a first-stage heating section; performing preliminary bond breaking and deoxidizing in a second-stage heating section to form a stable small-molecule product matching a shape-selective catalyst pore channel; and in a third-stage heating section, after entry into the shape-selective catalyst pore channel, performing aromatization for conversion into an aromatic hydrocarbon aviation oil precursor. The present invention solves the problems that intermediate products from microbial biomass residue pyrolysis show wide molecular weight distribution and do not match microporous shape-selective catalyst pore channels, target product yield is low and the like in traditional catalytic pyrolysis.

This invention provides a method for simulating and predicting the bonding performance of an underfill adhesive, comprising: (1) modeling and optimizing the substrate material; (2) modifying the surface of the optimized substrate material; (3) modeling the monomer mixture; (4) constructing and restrictively optimizing the relaxation of a "substrate-monomer mixture-substrate" sandwich structure; (5) performing a crosslinking reaction on the sandwich structure to obtain a kinetic calculation model box; (6) acquiring kinetic data; (7) establishing a thermodynamic calculation model; (8) optimizing and relaxing the thermodynamic calculation model to obtain thermodynamic data; (9) constructing a crosslinking unit model of coupling agent, epoxy resin, and curing agent; (10) obtaining the minimum bond breaking energy; and (11) simulating and predicting the bonding performance of the underfill adhesive based on the data obtained above. The simulation and prediction method of this invention has the characteristics of high precision and high efficiency, overcoming the problems of incompleteness, low precision, and narrow applicability of existing technologies.

The invention discloses a system and a method for acquiring a geological fluid thermal action evaluation molecular fingerprint model. The system comprises a cracking yield evaluation module which is composed of a macroscopic viscosity reduction module and a microscopic bond breaking module, the macroscopic viscosity reduction module is used for evaluating the macroscopic viscosity reduction grade, and the microscopic bond breaking module is used for evaluating the microscopic bond breaking grade; the isotope fractionation evaluation module is used for metering carbon isotope values of methane, ethane, propane and coke pitch under the thermal action so as to determine the thermal synergy time action grade; the thermal action activation energy evaluation module is used for metering the difficulty degree of the target product generation condition and quantitatively determining the reaction effect grade of the thermal action; and the high-resolution miscellaneous bond evaluation module is used for evaluating the polymerization degree of the molecular evolution degree so as to evaluate the hydrocarbon generation grade of thermal evolution. The method has the beneficial effects that the crude oil cracking degree can be quantitatively evaluated in a high-precision manner.

This invention provides a method and system for predicting the sputtering yield of organic targets using Hall plasma, comprising: a target molecule or molecular cluster prediction step: when the incident ion energy reaches the sputtering threshold that disrupts van der Waals interactions, calculating the sputtering yield of sputtered molecules or molecular clusters, and predicting the motion state of the sputtered products as molecules or molecular clusters; and a bond-breaking product prediction step: classifying the types of bond-breaking products of target molecules, setting a sputtering threshold corresponding to each type of product, and when the incident ion energy reaches the sputtering threshold corresponding to each type of product, calculating the sputtering yield of the bond-breaking products, and predicting the motion state of the sputtered products as bond-breaking products. This invention provides a method for predicting the sputtering yield of organic targets using Hall plasma, which can predict the surface sputtering degree of organic targets in contact with Hall plasma, the types of sputtered products are consistent with experimental detection data, and the sputtering yield calculation error can be within 20%.

Disclosed in the present invention are a method and device for degrading SF6 based on jet plasma. The method comprises: activating and exciting an inert gas to generate plasma, and then introducing proportioned SF6 into a reaction tank, so that the inert gas in an excited state is subjected to a collision reaction in the reaction tank, and thus SF6 decomposes by bond breaking to generate free F atoms and a low-fluorine sulfide, O2 is activated and decomposed into free O atoms, and the free O atoms react with the low-fluorine sulfide to generate SO2. In the present invention, Ar is introduced into a current piece and is excited to generate plasma, and then a mixed gas of SF6 and O2 is introduced to mix with the plasma; under the frequent collision of Ar* in an excited state, SF6 and O2 are activated and excited, and SF6 decomposes by bond breaking and combines with free O atoms to generate SO2; and the mixed gas is in full contact with a sprayed basic solution, and then absorbs the generated SO2, thereby achieving efficient degradation and harmless emission of SF.

The invention provides a ZSM-22 molecular sieve preparation method, which comprises: mixing a silicon source, an aluminum source, an inorganic alkali source, a template agent, an etching agent and water to form a gel, and carrying out dynamic crystallization, separation, washing, drying and roasting to obtain a ZSM-22 molecular sieve, the etching agent is selected from at least one of isopropanol, 1, 6-hexanediol, lysine, tris (hydroxymethyl) nitromethane and 1, 2, 4-triazole. According to the method for preparing the ZSM-22 molecular sieve, the etching agent is added into the synthesized gel mother liquor, the etching effect is preposed to a molecular sieve precursor or crystal nucleus with the minimum size and is matched with growth, then the axial diameter ratio of the ZSM-22 molecular sieve is greatly reduced, meanwhile, crystallization of the molecular sieve is dynamically adjusted by utilizing the addition-bond breaking dynamic change process, and the yield of the ZSM-22 molecular sieve is improved. The internal structure of the crystal is optimized, and the catalytic performance of the ZSM-22 molecular sieve is greatly improved.

A method and system for calculating the free energy difference between a target state and a reference state. The method includes determining one or more intermediate states using a coupling parameter, performing molecular simulations to obtain ensembles of micro-states for each of the system states, and calculating the free energy difference by an analysis of the ensembles of micro-states of the system states. The method can be particularly suited for calculating physical or non-physical transformation of molecular systems such as ring-opening, ring-closing, and other transformations involving bond breaking and / or formation. A soft bond potential dependent on a bond stretching component of the coupling parameter and different from the conventional harmonic potential is used in the molecular simulations of the system states for the bond being broken or formed during the transformation.

The invention provides an acetylcholin esterase fluorescent probe based on a non-broken bond mechanism and a preparation method and application thereof, and belongs to the technical field of acetylcholin esterase detection.The fluorescent probe is designed based on a naphthalimide structure, and the preparation process comprises intermediate synthesis, final product preparation and column chromatography purification. Reagents such as solvents, alkali and acyl chloride are easy to obtain, reaction conditions are mild, and preparation is simple and convenient. The fluorescent probe realizes non-broken bond recognition of AChE through a PET mechanism: a carbamate fragment in a probe structure quenches fluorescence of a fluorophore, and when acting with AChE, the fragment enters a hydrophobic pocket of an enzyme to break a PET process so as to recover fluorescence. Experiments show that the probe is sensitive and rapid in response to AChE, the fluorescence intensity is positively correlated with the concentration of AChE, and the probe has good specificity to AChE and is slightly interfered by common zwitterions and amino acids; the fluorescent probe can be used for detecting acetylcholin esterase in acetylcholin esterase indications.

The present application relates to the technical field of finite element analysis, and particularly relates to a method for predicting the weather resistance degradation of a curing agent based on finite element analysis. The method comprises the following steps: performing finite element analysis on the reaction molecular structure of the curing agent based on the material property data of the curing agent and the environmental data of the application scenario of the curing agent to obtain finite element curing agent reaction molecular structure data; performing analysis on the bond breaking behavior characteristics of the curing agent under the influence of the environment according to the finite element curing agent reaction molecular structure data to generate environmental influence curing agent bond breaking behavior characteristic data; establishing an environmental stress tensor-bond breaking evaluation model through the environmental influence curing agent bond breaking behavior characteristic data; and performing mapping optimization of the bond breaking and weather resistance degradation relationship of the curing agent on the environmental stress tensor-bond breaking evaluation model to obtain an environmental stress tensor-weather resistance degradation evaluation model. The present application realizes efficient prediction of the weather resistance degradation of the curing agent through finite element analysis technology.

The invention discloses a preparation method and application of double-dynamic-bond modified epoxy resin and modified wood, and belongs to the technical field of wood modification. The preparation method specifically comprises the following steps: (1) synthesizing a flame retardant VAP containing a Schiff base bond; (2) synthesis of a flame retardant BDB containing boron ester bonds; (3) preparing double dynamic bond modified epoxy resin; and preparing the modified epoxy resin impregnated wood. The double-dynamic-bond modified epoxy resin has dynamic characteristics, solves the problem of brittleness of common waterborne epoxy resin, and enhances the toughness of the epoxy resin; moreover, reversible fracture and rearrangement of the dynamic bonds endow the material with plasticity, so that the material can be reprocessed and formed, and meanwhile, due to the characteristic that the dynamic bonds are fractured under specific stimulation, the problem that thermosetting resin cannot be recycled and reprocessed is solved, the service life of wood is prolonged, and the application field of wood-based materials is expanded.

The invention discloses a diamond rough surface direct bonding atomic-scale simulation method and device, and the simulation method comprises the steps: constructing a crystal structure model of a diamond covalent bond system, carrying out first principle calculation and molecular dynamics calculation, comparing the sensitive key microscopic characteristics of bonding dynamics, and carrying out second principle calculation and molecular dynamics calculation. Determining an inter-atomic potential function of broken bond reconstruction; constructing a specific crystal face substrate, and obtaining substrates with different surface roughness to construct a pre-bonding model; carrying out bonding simulation by utilizing a molecular dynamics method according to the interatomic potential function of broken bond reconstruction and the pre-bonding model, and monitoring key parameters in the bonding process to obtain a stable bonding interface; and analyzing and simulating the stable bonding interface to determine the high-reliability direct bonding process. According to the method, a closed loop of execution-analysis-decision-feedback is embedded, so that the method has autonomous learning and optimization capabilities and can be quickly focused in an optimal process interval, and the design efficiency and reliability are greatly improved.

The invention relates to the technical field of high-molecular compound modification, and discloses a high-heat-resistant damp-heat-aging-resistant modified polyphenyl ether and a preparation method thereof.The preparation method comprises the steps that polyphenyl ether powder is dissolved in anhydrous toluene, a hindered chlorosilane monomer is added, the pH value of a system is adjusted under the action of an acid absorbent, the reaction temperature is maintained, and a reaction product is obtained; according to the preparation method, the high bond energy attribute of a hindered silicon-oxygen bond is matched with a three-dimensional volume repulsion mechanism, the fracture energy barrier of a chemical bond is improved, the mechanical shearing is utilized to improve the collision frequency of a macromolecular end group so as to trigger a condensation reaction, and the modified polyphenyl ether of which the tail end is provided with a radial steric hindrance shielding structure is obtained through precipitation, washing and drying. A molecular body level blocks a diffusion path of polar water molecules to main chain ether key sites, and on the basis of intrinsic damp-heat-resistant stability of modified polyphenyl ether, reverse dissociation of end-capping groups under a high-temperature working condition is avoided, so that constant dielectric indexes under a high-frequency communication working condition are ensured.

The invention relates to a preparation process of supercritical foaming slippers, and belongs to the technical field of foaming materials, the materials are endowed with high-efficiency room-temperature self-repairing performance by virtue of double dynamic structure synergy of a hydrogen bond supramolecular network and a dynamic covalent bond, and rapid and reversible intermolecular repairing power is provided by multistage hydrogen bonds built in a polyurethane elastomer. A dynamic covalent bond introduced by a siloxane prepolymer realizes a stable broken bond reconnection effect, the two dynamic bonds are uniformly dispersed and fully coupled by a high-temperature mixing process, the problems of agglomeration and phase separation are avoided, and an unexpected synergistic gain is formed by quick response repair of hydrogen bonds and long-acting stable repair of the dynamic covalent bond; the damage can be quickly healed under the room temperature condition without any external stimulation, the retention rate of the mechanical property of the repaired material is greatly improved, and the service life of the slipper is remarkably prolonged.