40 results about "Chemical kinetics" patented technology

The invention belongs to the technical field of combustion science and chemical kinetics simulation, and provides a method for predicting the lower combustible limit of mixed combustible gas. The method comprises the following steps: firstly, constructing and verifying a laminar flame velocity mechanism covering a single component and multiple components and the applicability to multi-component fuel; secondly, on the basis that flame stretching and radiation effects are considered in a traditional model, a dynamic instability factor is further introduced, so that the prediction precision of the lower combustible limit of the low-Lewis-number combustible gas is improved; finally, a single-component data set is generated in a unified mode, multiple regression algorithms are adopted for training and comparison, a prediction model is determined in a preferential mode, the Lunchaterow principle is combined, generalization prediction of the multi-component combustible lower limit is achieved, and finally comparison verification is conducted with existing experimental data. According to the system and the method, the dependence on a large-scale training data set is remarkably reduced, the calculation efficiency is improved on the premise of ensuring the prediction precision, and the system and the method have obvious engineering application value and are particularly suitable for the safety-critical field.

The invention relates to the technical field of atmospheric environment intelligent treatment, and discloses an ozone pollution dynamic prediction and control area discrimination method and system based on mixed symbol-numerical reasoning. The method comprises the following steps: constructing a knowledge graph oriented to the atmospheric photochemical reaction field, wherein the knowledge graph comprises chemical species nodes and edges with temperature-irradiance dependent reaction rates; taking the knowledge graph as a chemical kinetics constraint, taking real-time monitoring data as input, guiding the large model to carry out end-to-end prediction on the ozone peak concentration, and introducing a chemical kinetics consistency penalty term; reversely updating the reaction rate weight in the knowledge graph based on the prediction error and the residual error of the observation value to form a closed-loop optimization mechanism; and judging whether the current atmospheric environment belongs to a VOC control region, a NOx control region or a transition region by combining the uncertainty of large model prediction and the VOC dominant reaction path confidence of the knowledge graph. According to the invention, credible discrimination of ozone generation dominant factors on the principle level is realized.

The invention discloses an environment-friendly gas chemical kinetics calculation method based on a physical information neural network, and the method comprises the steps: constructing an environment-friendly gas chemical reaction kinetics model, constructing a chemical kinetics ordinary differential equation set, and obtaining a corresponding single-hidden-layer physical information neural network architecture; randomly initializing the hidden layer weight and bias and keeping the hidden layer weight and bias unchanged, only setting the output layer weight as a learnable parameter, and embedding a control equation residual error and an initial condition into a loss function; dividing the time domain into a plurality of sub-domains, solving different reaction particles on each sub-domain by adopting different single-layer neural networks, carrying out hard coding on an initial value into the neural networks, taking a final value of each sub-domain after training as an initial value of the next sub-domain, and carrying out training and solving by connecting the sub-domains in series section by section; and constructing a total loss function of the neural network, and carrying out iterative updating on the weight of an output layer until a loss function value is reduced to a given threshold value. According to the method, model calculation can be more efficiently carried out in a high-rigidity multi-reaction coupling system.

The present application relates to the technical field of functional nanomaterials, and in particular to a tadpole-shaped functional carbon nanotube as well as a preparation method and application thereof.The tadpole-shaped functional carbon nanotube provided by the present application has the following characteristics: (1) the whole is a nitrogen-doped U-shaped carbon nanotube; (2) group VIII transition metal nanoparticles are encapsulated at the bottom of the U-shaped carbon nanotube to form the head of the tadpole-shaped carbon tube; and (3) a single-atom zinc is inlaid on the tadpole-shaped tail carbon tube.The tadpole-shaped functional carbon nanotube can realize the cascade of four tumor treatment methods of chemical kinetics, photodynamic kinetics, photo-thermal and chemotherapy, and achieve a beneficial effect of synergistic treatment of tumors.

The invention discloses a quantitative method of a high-concentration target compound and belongs to the technical field of sample detection. The quantitative method comprises the following steps: (S.1) obtaining a corresponding relation between the concentration of a target analyte and the ion signal response intensity for fitting to obtain a quantitative model; (S.2) fitting signal response intensity data obtained by the target compound with gradient concentration according to primary reaction kinetics to obtain a quantitative model; and (S.3) through detection, substituting the sum of ion signal intensities of all products obtained by ionization of a target compound into the quantitative model to obtain a concentration parameter so as to realize quantification. The quantitative method provides a chemical kinetics modeling method for fitting a nonlinear quantitative curve in a wide analyte concentration range for various analytical instruments. The method is not only suitable for a target compound which only generates monomer product ions, but also suitable for a target compound which simultaneously generates monomer product ions and polymer product ions, so that the quantitative capability of an analytical instrument on a target analyte with unknown concentration is greatly improved.

The application belongs to the technical field of antitumor drug preparation, and particularly relates to a pH and enzyme dual-responsive peptide prodrug self-assembled nanoparticle and a preparation method and antitumor application thereof. The self-assembled nanoparticle comprises YDFA and copper ion coordination nanoparticle Cu@YDFA. The YDFA can improve the in-vivo stability of flufenamic acid, tumor-targeted delivery efficiency and selective release capacity in tumor cells of the flufenamic acid through prodrug design, and reduce adverse reactions caused by non-specific distribution of free flufenamic acid. The catechol in the YDFA is coordinated with copper ions to form Cu@YDFA nanoparticles. After the Cu@YDFA enters tumor cells, a Fenton-like reaction can occur with hydrogen peroxide in the tumor cells to produce active oxygen including hydroxyl radicals, thereby enhancing the chemical kinetic treatment effect and synergizing with the flufenamic acid-mediated antitumor effect to improve the treatment effect on tumors.

The invention relates to a rate prediction method and device for high-temperature deposition growth of SiC, equipment and a medium, and relates to the field of silicon carbide preparation.The method comprises the steps that a source gas system adopted by a high-temperature chemical vapor deposition method is obtained, and a chemical kinetics mechanism model is established; establishing thermodynamic data and a transportation database according to gas components related to the chemical kinetics mechanism model; a working condition is specified, grids between a gas inlet and the surface of a seed crystal are divided, then a steady-state control equation is obtained through solving by combining a chemical kinetic mechanism model, thermodynamic data and a transportation database, iterative operation is carried out till calculation convergence of a flow field, a temperature field and a chemical field, and the growth rate of the high-temperature chemical vapor deposition growth silicon carbide crystal is obtained. According to the rate prediction method provided by the invention, the rate of growing the silicon carbide crystals by the high-temperature chemical vapor deposition method can be quickly and accurately calculated by solving a one-dimensional impingement flow, spiral flow and chemical component transport model control equation.

The invention provides a carbon-based Cu-Si diatomic nano-enzyme and a preparation method and application thereof. Dopamine hydrochloride is used as a carbon source, anhydrous copper chloride is used as a copper source, sodium metasilicate pentahydrate is used as a silicon source, stirring is performed for 1 h, then a trihydroxymethyl aminomethane buffer solution is used for adjusting the pH value of the solution, then the solution is calcined in a tubular furnace at 400 DEG C for 3 h, and the carbon-based Cu-Si diatomic nano-enzyme (CuSiDA) is synthesized. The designed Cu-Si diatomic nano-enzyme with the carbon base is shown to respond to degradation in a tumor microenvironment, and has relatively high peroxidase-like activity and excellent photo-thermal performance. The three advantages endow the catalyst with high catalytic activity. And finally, due to efficient near-infrared second-region photothermal conversion capability (the photothermal conversion efficiency is 48.5%), photothermal enhanced catalytic treatment can be realized. According to the strategies of the steps, the carbon-based Cu-Si diatomic nano-enzyme which has biological safety and cycling stability and can simultaneously realize excellent optical treatment performance and chemical kinetics treatment performance can be developed.

The application discloses a kind of digital control systems of food salt scale production process, comprising: multi-dimensional crude brine perception unit, for real-time acquisition of crude brine flow, calcium / magnesium ion activity, conductivity and temperature;Digital twin modeling unit, based on ion strength correction chemical kinetics model constructs virtual mirror, real-time prediction of residual impurity concentration;Medicine dosing pre-control unit, according to prediction value and target component, using feedforward algorithm to solve caustic soda and soda ash dosing flow;Dynamic feedback correction unit, compare actual quality with prediction value, correct control parameters through gradient descent online learning, form closed-loop self-optimizing control.The application effectively improves the response speed and control accuracy of crude brine refining, reduces reagent consumption, ensures product quality stability, and provides an efficient, reliable and intelligent control solution for food salt production.

The invention discloses an environment-friendly gas arc zero-zone attenuation process simulation and regulation method. The method comprises the specific steps that S1, a chemical reaction system of environment-friendly gas is constructed; s2, a thermodynamic unbalanced effect and a chemical unbalanced effect are introduced, a chemical kinetic model is established, and evolution characteristics of the environment-friendly gas arc plasma are studied; s3, verifying and correcting the chemical kinetic model; analyzing key influence factors of environment-friendly gas recovery characteristics; and S4, designing a regulation and control scheme according to the key influence factors, and adjusting the medium recovery characteristics of the environment-friendly gas. According to the environment-friendly gas arc zero-zone attenuation process simulation and regulation method disclosed by the invention, the problem that thermodynamic unbalance and chemical unbalance in the arc quenching stage are difficult to determine in the prior art is solved.

The application provides a multifunctional nano drug delivery system based on iron-doped MOF and a preparation method and application thereof. The system comprises: an Fe / MOF core loaded with a chemotherapeutic drug and an HO-1 inhibitor; a PDA coating layer coated on the surface of the Fe / MOF core for providing near-infrared light heat conversion capability and surface modification interface; and E3 aptamer covalently coupled on the PDA coating layer, constituting a synergistic nano platform with active targeting, pH / NIR dual-responsive drug release, chemical kinetics therapy, ferroptosis sensitization, photothermal therapy and immune regulation functions. The nano system can realize efficient accumulation at the tumor site through active targeting mediated by E3 aptamer, and controllably release drugs under an acidic microenvironment or near-infrared light. A new strategy for multi-mechanism synergistic treatment is provided to overcome the multiple drug resistance and immunosuppression of mCRPC, and has important clinical application prospects.

A computing device configured to store one or more multiscale models of chemical kinetics, the computing device comprising a processor, a memory, and programming in the memory. Execution of the programming by the processor configures the computing device to implement functions. The computing device receives an input model of chemical kinetics. The computing device categorizes the input model with a scale category, and tests the input model based on a quality test. The computing device extracts metadata from the input model, and stores the input model based on the scale category and results of the quality test. The computing device receives a request for the one or more multiscale models of chemical kinetics, including one or more requested metadata. The computing device transmits the input model or a portion thereof in response to the request, based on a match between the one or more requested metadata and the extracted metadata.

The application discloses a kind of natural gas hydrate core decomposition and transport property prediction method, comprising: constructing core geometric model and carrying out grid division;Chemical kinetics model and transport multiphase percolation model of natural gas hydrate decomposition are constructed;Decomposition chemical kinetics model and transport multiphase percolation model are compiled respectively using C language, and embedded in Fluent software in the form of mass and energy source term;The initial distribution of natural gas hydrate, water, gas three phases in core is inverted, and the initial distribution law of natural gas hydrate is obtained;Based on the initial distribution law of natural gas hydrate, the decomposition and transport property of natural gas hydrate core under different exploitation conditions is predicted using Fluent software.The prediction method fills the blank of existing core natural gas hydrate core decomposition and transport prediction method.

The invention discloses a gold nano-enzyme composite material MAuN-coated HA and a preparation method and application thereof, the preparation method of the MAuN-coated HA comprises the following steps: growing gold nanoparticles on MIL-88 (Fe), specifically, uniformly dispersing the MIL-88 (Fe) in water, adding tetrachloroauric acid trihydrate of which the mass is 0.8-1.2 times of that of the MIL-88 (Fe), uniformly mixing, adding a reducing agent into the system, and reacting for 2-5 hours to obtain MAu; then, norcantharidin is loaded on the MAu, and MAuN is obtained; and modifying hyaluronic acid on the surface of the MAuN to obtain the product. According to the composite material disclosed by the invention, through chemotherapy, chemokinetic therapy, enhancement effect of gold atom nano-enzyme on activity of CAT / POD / OXD-like enzyme and multi-catalytic mechanism of Russell effect, remarkable chemotherapy / CDT synergistic therapy is realized, and the problem of low efficiency of traditional CDT therapy is solved.

The invention discloses an iron-based nano-enzyme targeting chimera as well as a preparation method and application thereof. According to the chimera, lipidosome is used as a carrier, a coordination active center is constructed by Plerixabor with CXCR4 high affinity and iron ions, selective adsorption of transferrin is achieved through surface chemical design, and double-target tumor targeted enrichment is achieved by means of TfR1-mediated rapid endocytosis. And meanwhile, selective degradation of CXCR4 through a lysosome way is accelerated, so that synergistic treatment of'blocking transfer signals-chemical kinetics killing 'is realized. The preparation provided by the invention has good biocompatibility and expandability. The platform has the advantages of molecular recognition, protein crown regulation and control, microenvironment response and the like, is suitable for precise treatment of various tumors with high CXCR4 expression, and can be used as a universal membrane protein degradation and chemical kinetics treatment integrated carrier to be expanded and applied.

The application discloses a kind of tannin-based Mn-Fe diatomic metal polyphenol nano-carrier loaded hypocrellin B nano-assemblies and its preparation method and application.The nano-assemblies use tannin as ligand, by step coordination driven self-assembly strategy, first with Mn 2+ Forming pre-assembly template, then introducing Fe 3+ Constructing Mn-Fe diatomic metal polyphenol network with atomic level uniform dispersion, and loading traditional Chinese medicine source photosensitizer hypocrellin B to obtain nano-preparation.The preparation realizes Fe 2+ / Fe 3+ Self-circulation, and can sustainably catalyze H2O2 in tumor microenvironment to generate hydroxyl radical, realizes long-acting chemical kinetics treatment;Meanwhile, in-situ oxygen production relieves tumor hypoxia, improves photodynamic therapy effect, and consumes glutathione to amplify oxidative stress.The preparation process of the application is mild, and biocompatibility is good, and it breaks through the bottleneck of insufficient effect of traditional treatment in anoxic tumor.

The invention discloses an environment-friendly gas chemical kinetics calculation method based on an ordinary differential equation, and the method comprises the steps: constructing the ordinary differential equation and a loss function according to a constructed environment-friendly gas chemical reaction kinetics model, and carrying out the reduction processing, and obtaining an ordinary differential model; carrying out network training on the Shenchang differential model based on a training and testing data set, adjusting and updating a weight coefficient by adopting a self-adaptive loss function weight, and calculating a network total loss function; and calculating the gradient of the network after the weight coefficient is updated through back propagation, and updating network parameters by adopting a gradient descent method until a loss function is reduced to a given threshold value to obtain a result of evolution of the concentration of each particle in the reaction system along with time. According to the method, model simulation calculation can be more stably and efficiently carried out in a high-rigidity environment-friendly gas chemical reaction system, gradients of different tasks can be balanced, the learning ability of the model to a multi-task process is improved, and the calculation precision is remarkably improved.

The application discloses a preparation method of a cascade catalytic nanoreaction system. The steps are as follows: 1) mixing Cu(NO3)2 anhydrous ethanol solution and potassium chloride, stirring overnight, then adding 2-methyl imidazole dissolved in ethanol, drying to form a precipitate, annealing under an inert atmosphere, etching with sulfuric acid to obtain CuNC single-atom nanoscale enzyme; 2) dispersing the nanoscale enzyme in ultrapure water by ultrasonic crushing, adding glucose oxidase, stirring and centrifuging to obtain nanoscale enzyme CuNC- GOx loaded with glucose oxidase; 3) mixing CuNC- GOx dissolved in ultrapure water with DSPE- PEG- NH2 to obtain the cascade catalytic nanoreaction system. The obtained cascade catalytic nanoreaction system is used for in-situ catalysis of endogenous biomolecules H2O2 in a tumor lesion area, ensures continuous generation of cytotoxic ROS, has a photothermal effect, has a high-efficiency synergistic anti-tumor effect of chemical kinetics and photothermal multi-strategy, and realizes high-efficiency anti-tumor treatment.

The invention relates to a pattern printing regulation and control method and system based on photochromic printing. The method comprises the following steps: performing multispectral space-time coding mapping on a target color pattern corresponding to a pattern printing task to obtain initial time sequence exposure sequence data; performing inverse problem optimization based on light-chemical kinetics on the initial time sequence exposure sequence data to obtain optimized time sequence exposure sequence data; according to the optimized time sequence exposure sequence data, performing multispectral structured light exposure perception analysis on a printing body corresponding to the pattern printing task to obtain actually measured color field analysis data; and according to the actually measured color field analysis data, closed-loop iterative optimization is carried out on the optimized time sequence exposure sequence data until the actual color error value meets a preset color error threshold value, and pattern printing control data is obtained. With the adoption of the method, the production throughput and yield can be effectively improved in the production process under comprehensive conditions so as to meet the production standard.

The present application relates to the technical field of gear box lubrication state monitoring, in particular to a kind of lubricating oil quality on-line monitoring system, comprising: data acquisition module obtains the disturbance signal and working condition parameter of large wind turbine main gear box;First processing module quantifies implicit disturbance characteristics;Second processing module identifies core chemical parameters, and core chemical parameters include: metal saponification reaction rate constant and colloid cluster electrophoretic mobility;Third processing module predicts macro rheological phase change, determines non-newtonian index;Working condition solution module calculates shear rate;Risk calculation module calculates abnormal wear risk index;State evaluation module determines evaluation result classification;Closed-loop control module responds to evaluation result classification, when evaluation result classification is secondary early warning, executes active inhibition strategy.The present application solves the problem that traditional technology cannot obtain micro-chemical kinetics parameters, and lays a foundation for accurate prediction.

Bayesian modeling can be used to predict chemical kinetics. A chemical kinetic measurement can be initiated over a period of time. Before the measurement is completed over the entire time period, Bayesian modeling can recursively model the data collected from the measurement as the expected rate of change of the chemical kinetics over that time period. The peak of this predicted rate of change can be predicted, and the probability of this peak can be recursively calculated based on the data before the measurement is completed over the entire time period. The measurement can be stopped before the measurement is completed over the entire time period if the probability exceeds a threshold.

The invention discloses a nanoparticle capable of generating active oxygen and releasing nitric oxide gas molecules and a preparation method and application thereof.UCNPs nanoparticles of an oil-phase core-shell structure are modified through PVP and then co-assembled with BiVO4 and MoN through the electrostatic adsorption effect, and UPBM NPs is formed. According to the nanoparticles prepared by the invention, the photodynamic effect of BiVO4 is activated by utilizing the NIR-UV / vis up-conversion characteristic of UCNPs, so that efficient ROS killing of deep tumors is realized. Meanwhile, a MoN component with Fenton-like catalytic activity is introduced, H2O2 is continuously decomposed in a tumor microenvironment to generate OH, NO gas molecules are released, and the oxygen consumption is reduced and the oxygen dependence problem of photodynamic therapy is relieved by inhibiting cell respiration. The nano composite material is used for realizing synergistic treatment of chemodynamic treatment, NO gas treatment and photodynamic treatment on tumors.

The present application relates to the technical field of generative adversarial networks, and specifically to a caprolactone polymerization process simulation method based on a generative adversarial network, which comprises constructing a generator network, receiving multi-dimensional parameters of a polymerization process, and constraining the training process of the generator network by a physical information verification network, which quantifies the residual error of chemical kinetics differential equations into a differentiable physical loss term; constructing a discriminator network, evaluating the effectiveness of a generated sequence from the aspects of reaction product characteristics and multi-dimensional physical constraints based on a constraint knowledge graph, and evaluating the effectiveness of the generated sequence through a combined loss function comprising a standard adversarial loss, a physical constraint loss, and a dynamic process consistency loss, designing a parameter-sequence double-layer adversarial mechanism, and making the generator network simultaneously perform adversarial training with the physical information verification network and the discriminator network to generate polymerization process simulation data. Through adversarial training of the generator and the discriminator, the present application performs caprolactone polymerization process simulation in accordance with physical and chemical laws.

A system that obtains a plurality of sensor values associated with a deposition process performed in a process chamber to deposit film on a surface of a substrate. The system then applies a virtual model to the plurality of sensor values. The virtual model is trained based on historical sensor data and a plurality of physics based outputs used to process non-linear relationships between the historical sensor data from different sensors in the process chamber. The plurality of physics based outputs were generated using a transformation function and the historical sensor data. The transformation function comprises functions associated with at least one of chemical kinetics or Langmuir adsorption model. The system obtains an output of the virtual model, the output identifying predictive metrology data for the film.

The invention discloses a bismuth-based monatomic doped bismuth oxychloride nano treatment platform as well as a preparation method and application thereof, and belongs to the technical field of biological medicines. The nano treatment platform is a metal monatomic doped bismuth oxychloride two-dimensional nanosheet, and the preparation method comprises the following steps: dissolving a bismuth source and a surfactant in a polyol solution, adding a chloride source to form a bismuth oxychloride precursor, and introducing a monatomic source to carry out a hydrothermal doping reaction. According to the platform, in a tumor microenvironment, hydrogen peroxide self-supply and glutathione efficient consumption can be achieved through valence state circulation of metal single atoms, a large amount of active oxygen is generated under the ultrasonic action, chemical dynamics and sonodynamic treatment effects are synergistically enhanced, meanwhile, the platform has good biodegradability and safety, and the platform is suitable for being used in tumor treatment. And a new strategy is provided for precise and efficient treatment of tumors.

The application relates to a self-repairing absorbent formula optimization method and system, equipment and medium, and belongs to the technical field of absorbent formula optimization. The method comprises the following steps: obtaining an experimental data set based on self-repairing absorbent formula optimization experiments and reversible degradation-balance inhibition chemical kinetics calculation; constructing a model data set; establishing a formula-performance mapping relationship model by using support vector regression; training the formula-performance mapping relationship model established by using support vector regression; simulating sampling on the trained relationship model to screen out a plurality of candidate formulas meeting engineering constraint conditions; and obtaining an optimized self-repairing absorbent formula according to laboratory and pilot test verification results of the plurality of candidate formulas. The optimized formula obtained by the method can reduce the chemical degradation of the absorbent and inhibit secondary pollution caused by degradation, and can realize in-situ activity self-repairing of the absorbent.

This invention discloses an intelligent simulation and computation method for complex chemical reactions. Combining multimodal data fusion, deep learning models, and physically constrained networks (PINNs), along with reinforcement learning optimization strategies, it achieves efficient and accurate prediction of reaction processes and intelligent control of reactor parameters. The method first constructs a reaction model using graph neural networks (GNNs) and physically constrained neural networks (PINNs), embedding core equations from chemical kinetics, mass transfer, and fluid dynamics to ensure the prediction results conform to physical laws. Then, based on the proximal strategy optimization (PPO) algorithm, it achieves real-time optimization of reaction conditions, dynamically adjusting operating parameters such as temperature, pressure, and flow rate to maximize reaction conversion, selectivity, and energy efficiency. This invention can be widely applied to chemical reaction systems such as catalytic reactions, multiphase reactors, microchannel reactors, and drug synthesis, significantly improving computational efficiency and accuracy, reducing the computation time of traditional methods, and providing intelligent online optimization and control solutions for industrial chemical reaction processes.

The application provides a kind of inkfish juice copper oxide-based nanocomposite, in this paper, inkfish juice (M) is as core, a layer of CuO is grown outside it, and M@CuO composite multifunctional nanomaterial is successfully constructed.M@CuO composite material is spherical, and the nanometer particle size is 128.2 nm, and it has good photo-thermal conversion performance (η T =47.6%) under near infrared light (NIR) irradiation conditions.In addition, M@CuO shows good Fenton effect at room temperature, and the Fenton reaction rate can be further improved by photo-thermal effect, and the Fenton reaction rate at 45 DEG C is more than twice that at 25 DEG C under the same conditions.In vitro cell experiments, M@CuO shows good biological safety, and under the effect of photo-thermal-chemical kinetics combined therapy, it can efficiently kill tumor cells, and provides an effective strategy for developing multifunctional nanomaterials with PTT-CDT combined therapy.

The invention provides a chemical kinetics measurement method for an air dissociation process, which comprises the following steps: synchronously detecting an air dissociation area by using a multi-channel spectrograph and a wide-spectrum radiometer to respectively obtain a multi-band spectral signal and a wide-spectrum thermal radiation energy spectrum signal; on the basis of the multiband spectral signal, identifying characteristic spectral lines of the target component and the free electron, and determining radiation intensity corresponding to each dissociation product; according to the radiation intensity corresponding to each dissociation product, combining with a local thermodynamic equilibrium or non-equilibrium radiation transfer model to invert instantaneous concentration distribution of each dissociation product; analyzing the dynamic thermal relaxation characteristic of the wide-spectrum thermal radiation energy spectrum signal to obtain the real-time temperature field and electron density data of the reaction area; and taking the instantaneous concentration distribution, the electron density and the temperature field data of each dissociation product as boundary conditions, substituting the boundary conditions into a rate equation set containing a non-equilibrium chemical-ionization reaction path, and determining a rate constant and a dominant path of a target reaction.

The application discloses a kind of equipment key position corrosion rate prediction methods based on data-mechanism fusion, it is related to corrosion prediction technical field.The method includes: first, obtaining equipment operating parameter, environmental medium parameter, corrosion state parameter and other multi-source data, constructs data set and pre-processes, removes abnormal value;Then, a semi-empirical model and chemical kinetics model are constructed, the data are extended and interpolated to fill, and an extension data set is formed;Then, the two data sets are fused, and a fusion data set is obtained by generating an adversarial network;Based on the fusion data set, an initial prediction model is constructed using the RF algorithm, and the hyperparameters are optimized using the symbiotic organism search algorithm;Finally, the model is used to process the test condition data, and the corrosion rate prediction result is obtained.The application can provide support for equipment corrosion management and make up for the inherent defects of traditional prediction models.