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179 results about "Reaction path" patented technology

Reaction path. The reaction path will connect the several chemical species that evolve during the reaction process. The word "connected" needs to be clarified. The most adequate definition of such connection is the trajectories that an ensemble of molecular entities travel through the PES at a given temperature until the reaction is completed.

Co3O4 nano hollow sphere material and preparation method and application thereof

InactiveCN101863518AGood electrochemical behaviorGood intercalation/extraction electrochemical behaviorCell electrodesCobalt oxides/hydroxidesElectrochemistrySurface-active agents
The invention provides a Co3O4 nano hollow sphere material and a preparation method and the application thereof. The preparation method of the Co3O4 nano hollow sphere material comprises the following steps of: mixing cobalt salt, surface active agent, precipitant with water according to stoichiometric ratio; putting mixed solution into a reaction kettle to perform hydro-thermal reaction, washing and drying to obtain a powdered mixed precursor; and heat treating the precursor in air to finally obtain the Co3O4 nano hollow sphere material. The obtained Co3O4 nano hollow sphere material has a regular surface nano piece layer and an internal hollow network structure, has a better electrochemical behavior, can be used for a cathode of a rechargeable lithium ion battery, can guarantee the electrolyte to be sufficiently permeated, can provide more electric active points with an increased contact surface, guarantees the lithium ion to better perform an embedding/withdrawing electrochemical behavior, enlargers the specific surface area, and improves the lithium storage capability. The internal network structure also shortens the reaction path of the lithium ion, i.e. shortens the conduction path of the e-and the Li+, thereby improving the characteristic of multiplying power.
Owner:SHANGHAI INSTITUTE OF TECHNOLOGY

Dynamic and static combined software security test method

InactiveCN102360334AIncreased security testing productivitySolve the path space explosion problemSoftware testing/debuggingCall graphBasic block
The invention relates to a computer software security test method, and in particular relates to a dynamic and static combined software security test method. The test method comprises the following steps: firstly carrying out disassembly and intermediate language transformation on an executable program so as to generate a function call graph (CG) and a control flow graph (CFG) of a file; finding out a vulnerable point of a system by means of static analysis of the function CG, and constructing a test case generation execution path by virtue of a dynamic analysis method; searching a called function based on the function CG, finding out a specific path for triggering the vulnerable point on a first-grade basic block according to the CFG if the function is located on the generated execution path, and then ending the loophole mining process corresponding to the sensitive point; and if the path can not be found, reconfiguring the test case generation execution path and then searching the called function in a cyclic manner. The dynamic and static combined software security test method has the advantages of better solving the problem of path state space blast caused by single Fuzz dynamic test, and greatly improving the path coverage hit rate and the software test analysis efficiency.
Owner:THE PLA INFORMATION ENG UNIV

Distribution method for urban rail transit

The invention discloses a distribution method for the passenger flow of the urban rail transit. The distribution method comprises the steps: (1), setting up a revealed preference survey and a stated preference survey; (2), searching for the effective path from an origin station to a destination station; (3), calculating the service quality score of each path according to the survey data and historical data of urban rail operation; (4), setting up the utility function of going out of selection paths of passenger groups, and standardizing coefficients of all influence factors of the utility function of passenger path selection according to the survey data; (5), applying a mixed strategy game model solution Nash equilibrium solution method to calculate the optimal path selection probability distribution of each group; (6), calculating the passenger flow distribution proportion of each path according to the group path selection probability and the proportion of each group of a survey sample; and (7), obtaining the distribution proportion table of ticket business income of operators of all paths through calculation according to the passenger flow distribution proportion of each path between origins (O) and destinations (D) of a road network. The distribution method has the advantages that the subjective initiative of passengers is fully considered, the game model of the passenger groups is set, the path selection behavior of the passengers in the urban rail transit can be simulated well, and accurate and effective ticket business distribution proportion data can be provided for running enterprises.
Owner:SOUTHEAST UNIV

Geological carbon dioxide storage evaluating method

The invention relates to a geological carbon dioxide storage evaluating method. The geological carbon dioxide storage evaluating method comprises the following steps: S1, selecting a core sample, anddetermining the characteristics of the core sample; S2, pretreating the sample: cutting the core sample, and polishing the surface of the cut core sample; S3, performing an indoor water-rock simulation experiment on the core sample; S4, treating the core sample after the experiment to remove a solution after an experimental reaction; S5, analyzing and testing the core sample treated after the experiment; S6, carrying out a long-term numerical simulation experiment. According to the geological carbon dioxide storage evaluating method, the reaction path and the reaction process after an oil andgas reservoir is filled with CO2 are determined through the short-term indoor water-rock simulation experiment, and on this basis, storage quantity evaluation is performed through long-term numericalsimulation, so that a CO2 filling simulation process is closer to an actual large-scale carbon dioxide filling experiment, uncertainty of the storage quantity evaluation caused by speculation of the storage process after CO2 filling according to a typical chemical reaction equation is avoided, and the accuracy of the storage potential evaluation of an actual storage geological body is significantly improved.
Owner:CHINA UNIV OF PETROLEUM (EAST CHINA)

Device and method for treating electrophoretic coating waste water

The invention discloses a device for treating electrophoretic coating waste water. The device comprises a waste liquid regulating pool, a waste water regulating pool and a reaction tank, wherein a pH probe is arranged in the reaction tank; the reaction tank is also connected with an alkali addition pipeline, and is sequentially divided into four reaction chambers, namely a first reaction chamber, a second reaction chamber, a third reaction chamber and a fourth reaction chamber, along a reaction path; a stirrer is arranged in each reaction chamber; the adjacent reaction chambers are communicated with each other through an overflow hole; a discharging port for waste water overflow is formed in the fourth reaction chamber and is connected to an inclined pipe precipitation tank; and a sludge discharging port is formed in the bottom of the inclined pipe precipitation tank, and is connected to a sludge pool. A method for treating the electrophoretic coating waste water mainly comprises the steps of mixture of waste liquid and waste water, phosphorous removal through calcium salt, nickel removal through vulcanization, phosphorous removal through ferric salt, and flocculating settling. According to the device and the method, heavy metal ions such as nickel and zinc in the waste water can be effectively removed, the labor intensity of an operator is reduced, and a system can also stably operate.
Owner:TIANJIN ACADEMY OF ENVIRONMENTAL SCI

Complex system reaction access calculating system and implementing method thereof

The invention belongs to the technical field of chemical and molecular structure information, and provides a complex system reaction access calculating system and an implementing method thereof. The calculating system comprises a molecular simulation and quantum chemistry calculating module, a molecular conformation searching module and a refined calculation and application module. A molecular structure simplified pattern reaction system is constructed, a characteristic reaction path is analyzed, and relevant key structures comprising ground states and transient states of reactions of a target reaction system are searched for. Based on a low-dimensional characteristic potential energy surface in a pattern system, a reaction network access is set up, and reaction coordinates of local minimum points and saddle points of a potential energy surface in a network are recorded; based on information of the reaction coordinates, molecule grafting restoring the pattern system (simple) to the target system (complex) is achieved. Through the molecular conformation searching technology, under the condition of characteristic coordinate restraint, a conformation set of reaction objects of the target system is searched for, and molecules in the conformation set are structurally optimized; effective ground state and transient state molecular structures of the reaction objects are collected according to the reaction characteristics of the characteristic coordinates on the reaction path.
Owner:SHANGHAI JIAO TONG UNIV

Organic waste gas purifying device and method

The invention discloses an organic waste gas purifying device and method. The method comprises the steps that dust particles in waste gas are gathered and separated; high-energy electrons generated by discharge of flowing light and pollution gas molecules collide, and chemical bonds in the molecules are broken and activated; ultraviolet light radiates a nanometer titanium catalyst to generate multiple free radicals and electron holes, and organic waste gas is oxidized and decomposed. By the adoption of needle array positive direct current flowing light discharge, energy density of corona discharge is increased, and more high-energy electrons with high activity can be generated to carry out activating decomposition on the organic waste gas molecules. By means of the synergistic effect of precious metal and the manganese dioxide catalyst, the reaction path is changed, the reaction activation energy is reduced, organic waste gas is promoted to be thoroughly oxidized into dioxide carbon and water, and intermediate products are reduced. Nanometer titanium dioxide generates photos and the electron holes under radiation of ultraviolet light, and then particles with high oxidability of hydroxyl, oxygen free radicals and the like are formed, and subjected to the photochemical oxidation reaction with pollutants.
Owner:ZHANGJIAGANG AIER ENVIRONMENTAL PROTECTION ENG CO LTD

Novel engine controlled by combustion reaction path and regulating method thereof

The present invention discloses a novel engine controlled by combustion reaction path, which cylinders comprise working cylinders and reforming cylinders. According to the operational condition of engine, the engine is used for compressing, heating and reforming the fuel injected from the reforming cylinder injector; by controlling the reaction boundary conditions between fuel and air, the reforming cylinder can exhaust partial intermediate products or oxidation products of the different oxidation stages; the products are then mixes with the inlet air in the pre-mixing chamber and then is introduced into the working cylinder. Under operating in different working conditions, the engine can discharge the mixed gas with different activities under different oxidation stages by regulating the corresponding boundary conditions of the reforming reaction of the reforming cylinder, and can achieve concentration stratification and activity stratification of the mixed gas in the working cylinder by using the fuel injected from the working cylinder injectors, and can effectively achieve high effectiveness and broaden the scope of clean combustion by changing the combustion reaction path. The present invention just adopts simple oxidation reaction post-treatment device, and then the emission of the engine can meet the requirement of EuroVI emission regulation.
Owner:TIANJIN UNIV

Idelalisib synthesis method and preparation of intermediate

The invention provides an Idelalisib synthesis method. The method comprises steps as follows: a compound 3 is processed with hydrogen in the presence of a hydrogenation catalyst and a solvent, nitro is enabled to be reduced, and an amino compound II is obtained; the compound II and N-Boc protected L-2-aminobutyric acid are subjected to condensation in the presence of alkali and a carboxylic acid activator or in the presence of alkali and a condensation agent, and an intermediate I is obtained; the intermediate I is subjected to a ring closing reaction in an appropriate solvent under the action of a hexamethyldisilazane / lewis acid catalytic system, and a compound 7 is obtained; the compound 7 reacts with 6-chloro-9-(2-tetrahydropyran) purine in an appropriate solvent in the presence of an acid-binding agent, and a compound III is obtained; the compound III is subjected to protecting group removal with an appropriate reagent, and Idelalisib is obtained. A reaction path is shown in the specification. The preparation method has the advantages that the reaction conditions of each step are mild, the post-processing is simple and easy to implement and the total yield is high, and the preparation method is environment-friendly and is very suitable for industrial production.
Owner:SHANGHAI INST OF PHARMA IND CO LTD +2

Method for predicating catalytic reforming product

ActiveCN109698014AEasy to optimizeOptimizing the Catalytic Reforming ProcessChemical property predictionReaction ruleCatalytic reforming
The invention discloses a method for predicating a catalytic reforming product. The method comprises the steps of acquiring all components of a catalytic reforming raw material and a content which corresponds with each component; establishing reaction rules based on the types of modular structures of all components in the catalytic reforming raw material; generating a reaction network according tothe plurality of reaction rules and all the components of the catalytic reforming raw materials, wherein the reaction network comprises a plurality of nodes and a plurality of directional sides, thenode represents the component of the catalytic reforming raw material, an intermediate product or a final product, and the directional side represents the reaction path between two members in the catalytic reforming raw material, the intermediate product and the final product; setting the reaction conversion rate which corresponds with each reaction path and the reaction depth of the catalytic reforming raw material in a reactor, and establishing a catalytic reforming product predicating model based on the reaction network, all components of the catalytic reforming reactant and the content which corresponds with each component; and based on the catalytic reforming product predicating model, acquiring all the components of the catalytic reforming product and the predicated content which corresponds with each component.
Owner:PETROCHINA CO LTD

Al-Si-Ti ternary active solder for aluminum-based composite material and preparation method thereof

The invention discloses an Al-Si-Ti ternary active solder for an aluminum-based composite material and a preparation method thereof. The solder comprises the following components in percentage by mass: 7 to 14 percent of Si, 0.1 to 1.2 percent of Ti and the balance of Al. During soldering, the solder is appropriately pressurized after being preset and is heated to about 610 DEG C. Compared with the conventional Al-Si eutectic solder, the Al-Si-Ti ternary active solder has the advantages that: (1) a ceramic reinforced phase micro zone can be well wetted through reaction between a liquid activeelement Ti and a ceramic reinforced phase, so that a residual air gap between the ceramic reinforced phase and the solder is eliminated; (2) an aluminum matrix micro zone is free from a soldering flux and cleaning after soldering, wherein the solder breaks an oxidation film through a metallurgical reaction path, namely through reaction between the active element Ti and the oxidation film on the surface of an aluminum matrix, so that an interfacial air gap is eliminated in advance, and a diffusion channel is quickly established to make wetting and Si penetration performed in advance; (3) the solder has a compact interface and short required soldering time; (4) ceramic particle segregation is avoided; and (5) the solder has high applicability, is particularly suitable for the aluminum-basedcomposite material taking aluminum oxide as a reinforcing phase and the aluminum-based composite material with high volume fraction.
Owner:XI AN JIAOTONG UNIV
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