8 results about "Reaction dynamics" patented technology

The invention relates to the technical field of biological detection signal analysis, and discloses a method for rapidly detecting the content of active collagen. The method comprises the following steps: collecting an original optical response signal of a reaction between a to-be-detected solution and a specific reagent, and constructing a time-space continuous primary reaction track through multi-level slicing and cross-domain splicing of a time domain, a frequency domain and a time-frequency domain; a signal mode set related to activity is separated through convolution kernel group depth scanning. A graph association network between signal modes is constructed based on the set, and a steady-state feature graph representing reaction kinetics is generated through iterative calculation. The feature map is mapped to a virtual reaction space defined by standard data, and quantitative judgment is achieved by calculating the distance between a projection vector and a preset concentration anchor point. According to the method, the sensitivity and the anti-interference performance of detection are enhanced through deep analysis reaction dynamic signals and correlation network modeling.

The invention relates to the technical field of chemical production automation control, in particular to an intelligent control system and method for styrene butadiene rubber emulsion processing, and is used for solving the problems that in the prior art, reaction kinetics and a generative neural network cannot be fused to generate a deterministic operation strategy, working condition self-adaption cannot be achieved in combination with element reinforcement learning, and the working efficiency is poor. The dynamic dependency relationship among the process variables is difficult to explicitly describe by using a causal sequential network; according to the method, the aggregation intelligent optimization module fuses reaction dynamics and a generative neural network, an evolutionary multi-objective optimization algorithm locked before deployment is executed based on preprocessing parameters, the raw material utilization rate, the production takt and the product uniformity are synchronously optimized, a deterministic operation strategy is generated, working condition self-adaption is achieved in combination with meta-reinforcement learning, and the working efficiency is improved. And utilizing a causal sequential network to explicitly describe a dynamic dependency relationship among process variables, and outputting an interpretable causal graph.

This invention relates to the field of combustion dynamics technology, and provides a method for modeling the combustion dynamics of nano-aluminum particles based on molecular reaction dynamics. The method includes: S1 constructing a nano-aluminum particle model; S2 establishing an oxidation combustion reaction system; S3 analyzing molecular trajectories; S4 extracting reaction paths; S5 determining gas-phase reaction kinetic parameters; S6 determining surface reaction kinetic parameters; S7 constructing a heterogeneous combustion kinetic mechanism; and S8 verifying and outputting simulation results. This invention directly extracts reaction paths through molecular dynamic trajectories in the reaction force field, reducing the subjectivity of relying entirely on artificially preset elementary reactions. It supplements key gas-phase and surface reaction parameters through quantum chemical calculations and density functional theory calculations, improving the physicochemical basis of the mechanism parameters. By coupling gas-phase and surface reactions into a heterogeneous combustion kinetic mechanism, it more completely describes the structural evolution process of aluminum nanoparticles from melting, rapid oxidation, partial oxidation to equilibrium.

The invention relates to a thermal reactor arrangement and a corresponding method of operation, designed for high-temperature chemical reactions such as the synthesis of nitrogen oxides (NOx). The reactor incorporates a plasma chamber and a downstream expansion chamber configured to facilitate controlled reaction dynamics, efficient product formation, and rapid quenching of reactive gases.

The invention discloses a photocatalytic hydrogen production interface reaction dynamic regulation and control method based on in-situ Raman spectrum-molecular dynamics coupling simulation, and relates to the technical field of photocatalytic hydrogen production. The method comprises the following steps: firstly, building an in-situ Raman system containing a corrosion-resistant light-transmitting reaction tank, monitoring microscopic information such as lattice stress change and TiO2 crystal phase transformation caused by CdS photocorrosion in real time, and capturing characteristic peaks of intermediates such as. OH and the like and O-H bond vibration frequency deviation; constructing a molecular dynamics model containing water molecules on the surface of the catalyst and adsorbed on the surface of the catalyst in combination with spectral data, and obtaining the influence of an IrRu monatomic site on water orientation, M-H bond length evolution and other atomic scale mechanisms through de novo calculation simulation; using a data fusion algorithm to correlate the spectral characteristic peak intensity with the simulation energy change, and locking the reaction speed step; finally, targeted regulation and control are performed, for example, a heterojunction is constructed to inhibit CdS light corrosion, the interlayer spacing of the layered catalyst is adjusted to strengthen charge separation, and the reaction temperature and hydrogen partial pressure are collaboratively optimized.

The invention relates to the field of production and processing of rubber, in particular to optimization of a monitoring technology for a rubber coagulation reaction. The embodiment of the invention discloses a method for monitoring rubber coagulation reaction based on Raman spectrum. The method comprises the following steps: collecting Raman signal light reflected back from a rubber coagulation reaction device; identifying and extracting a specific Raman characteristic peak according to the collected Raman signal light; based on the Raman characteristic peak, identifying a to-be-detected substance and a concentration value of the to-be-detected substance; and controlling the rubber coagulation reaction device in real time based on the to-be-detected substance and the concentration value of the to-be-detected substance. The invention aims to provide the method, the system and the medium for monitoring the rubber coagulation reaction based on the Raman spectrum, in-situ and on-line monitoring of key process parameters is realized, so that production control personnel can almost grasp the dynamic state of the reaction in real time, and production management is changed from a post-operation mode based on historical data to a post-operation mode based on historical data to a post-operation mode based on historical data to a post-operation mode based on historical data to a post-operation mode based on historical data. And a timely regulation and control mode based on real-time data is improved.

A dynamic analysis method for the reflectance of vitrinite in continental hydrogen-rich shale based on normally distributed activation energy is proposed for oil and gas exploration and development, solving the problem that the existing Easy%Ro model is not suitable for the evolution analysis of vitrinite in continental hydrogen-rich shale. This invention includes: S1, a calibration method for the dynamic model of reflectance of vitrinite in continental hydrogen-rich shale; including a calibration method for the reaction dynamics model of vitrinite in hydrogen-rich shale based on in-situ thermal evolution simulation experiments or a calibration method for the reflectance dynamics model of vitrinite in hydrogen-rich shale based on paleothermal evolution history; S2, a forward modeling prediction method for geothermal evolution history based on the reflectance dynamics of vitrinite in continental hydrogen-rich shale. This invention establishes the SL_Ro model by obtaining data from in-situ thermal evolution experiments, which is more suitable for describing the reflectance evolution process of vitrinite in continental hydrogen-rich shale compared to the traditional Easy%Ro analysis method based on discrete distributed activation energy chemical kinetic models and exponential conversion relationships.

The invention relates to the technical field of industry, and discloses an environment-friendly continuous flow high-pressure reaction method based on supercritical fluid, which is characterized in that a set of complete supercritical fluid reaction intelligent control system is constructed through organic combination of the eight steps. According to the system, full-process automatic management from data acquisition to control execution is realized, and core control tasks such as accurate perception of a process state, accurate prediction of a future trend, optimization decision of a control strategy, coordinated configuration of execution actions and the like are completed. Through the combination of model prediction and real-time calibration, the system can accurately grasp complex physical property change and reaction dynamic characteristics of the supercritical fluid; through cooperation of feed-forward compensation and feedback adjustment, the system effectively suppresses the influence of various disturbances on the process stability.