16 results about "Chemical equation" patented technology

The present application relates to a method for analyzing the structural properties of MOFs materials, a storage medium, and an electronic device. The method includes: obtaining a first structure file of a target MOFs material model and creating a first input parameter file; using DFTB+ software to read the first structure file and the first input parameter file for geometric optimization to obtain a second structure file, its compound energy, and unit cell parameters; if the target MOFs material is a newly designed structure, calculating the formation energy based on theoretical chemical equations, elemental energies, and compound energies; if the target MOFs material is an existing structure, calculating the formation energy based on existing chemical equations and the energies of the reactants and products of the equation; creating a second input parameter file; using DFTB+ software to read the second structure file and the second input parameter file for density of states calculation and visualization to obtain a density of states map; and analyzing the target MOFs material based on the unit cell parameters, formation energy, and density of states map.

The invention discloses a calculation method for the carbon sequestration amount in the gob area filled with high-water solidified carbon dioxide, belonging to the field of carbon dioxide sequestration assessment. The mining range is determined according to materials such as the coal mine excavation engineering plan, and the gob volume that can be filled in the coal mine is obtained; according to the density information of the filling material, the total mass of the filling material in the gob area is calculated; it is known that the filling material is composed of aggregate and supercritical carbon dioxide mixed in proportion: the molecular weight of the aggregate is obtained by using the molecular formula of the aggregate and water forming the filling material, and the molar amount of carbon dioxide that can be solidified by the aggregate is inferred according to the chemical equation of the solidification reaction of the aggregate and carbon dioxide; finally, the mass of the aggregate used in all the filling materials in the gob area and the mass of the supercritical carbon dioxide participating in the solidification reaction are calculated. Its steps are simple and the calculation results are accurate, which has important value for the design of the filling amount of the gob area in the coal mine filled with supercritical carbon dioxide solidified by high-water materials.

The invention relates to the technical field of biological fermentation, in particular to a method for identifying a dominant metabolic pathway of VFA degradation in AD based on an energy efficiency ratio. The method comprises the following steps: determining boundary conditions of a VFA metabolic pathway; and acquiring data in the operation process of the AD reactor. According to the method for identifying the dominant metabolic pathway of VFA degradation in AD based on the energy efficiency ratio, process parameters such as gas components, VFA concentration, pH value, bicarbonate ion concentration and the like in AD (anaerobic digestion) are regularly detected, a thermodynamic function in a reaction system is corrected according to a metabolic chemical equation of VFA in combination with phase state, temperature and substrate and product concentration factors, and the dominant metabolic pathway of VFA degradation in AD is identified. Calculating a delta G value corresponding to each metabolic pathway; the electron transfer mole number (Ne) involved in each metabolic reaction is calculated, and delta G is normalized into a form (delta G / Ne) of electron transfer per mole; preliminary identification of the dominant metabolic pathway can be realized through the physicochemical parameters easy to obtain in the AD system, and the method has the remarkable advantages of high efficiency, convenience and high universality.

The invention discloses a method and system for estimating the concentration of radioactive iodine species in a containment after an accident, and the method comprises the steps: inputting the content of gaseous iodine in the atmosphere of the containment, and calculating the acid content in the wall surface of the containment and the liquid phase of a pit; on the basis of the content of acid in the pit liquid phase and the content of a medicine added into the pit in advance, the pH value in the pit liquid phase is calculated through a pH model; determining the content of iodine which enters the liquid phase of the pit and does not participate in the chemical reaction of the liquid phase; on the basis of the content and the pH value of iodine which can be subjected to chemical reaction in the pool, combining an iodine water chemical equation, and calculating through a liquid phase chemical reaction model to obtain the concentrations of different iodine species in a liquid phase; calculating the mass transfer amount of gaseous iodine in the gas phase between the containment atmosphere and the pit water based on a pool mass transfer model; the content of gaseous iodine in the containment atmosphere is calculated through a gaseous iodine radiolysis and ionization model; determining the content of iodine deposited on the dry wall surface of the containment based on a gaseous iodine deposition model; and finally outputting the concentration of each iodine species in the gas liquid.

The invention belongs to the technical field, and particularly relates to a nitriding furnace control system and method based on gas flow integral differential information, and the system comprises a hardware layer, a data layer, and a control layer. The hardware layer comprises a furnace body system, a sensor group and an execution mechanism and is used for detecting signals in the furnace body and transmitting the signal data to the data layer; and the data layer comprises a data acquisition system and an analysis system. According to the method, the instantaneous volume flow is monitored, and a'flow-reaction process' quantitative relation is established; according to integral analysis on the total gas consumption amount according to actual production requirements, the material reaction progress is reversely deduced through a chemical equation, the reaction progress is accurately controlled, and theoretical support and data support are provided for manual refined reaction control; a data model is established, an integral information graph and a differential information graph of the gas flow are recorded in real time, and the process is conveniently modified after production is finished.

The invention relates to an MOFs material structure performance analysis method, a storage medium and electronic equipment. The method comprises the steps that a first structure file of a target MOFs material model is acquired, and a first input parameter file is made; reading the first structure file and the first input parameter file by using DFTB + software for geometric optimization to obtain a second structure file and compound energy and unit cell parameters thereof; if the target MOFs material is of a newly designed structure, forming energy is calculated based on a theoretical chemical equation, simple substance energy and compound energy; if the target MOFs material is of an existing structure, forming energy is calculated based on an existing chemical equation and energy of reactants and products of the equation; making a second input parameter file; reading the second structure file and the second input parameter file by using DFTB + software to carry out state density calculation and visualization to obtain a state density map; and based on the cell parameters, forming an energy and state density map to analyze the target MOFs material.

The invention discloses a handwritten chemical equation recognition method and system based on Transform, and the method comprises the steps: firstly carrying out the preprocessing of a handwritten chemical equation image, and constructing a handwritten chemical equation data set which can comprise 7395 samples of 100 symbol categories; dividing a data set into three parts, namely a training set, a verification set and a test set, which are used for training and testing the model provided by the invention; then obtaining a model prediction result, evaluating the prediction result, and verifying the accuracy of the model; and finally, applying the best model, namely parameters, to system identification, and performing real-time identification on an image input into a system. According to the method, the global counting weighting module and the attention refining module are respectively designed, the diversity of samples and the meticulousness of labels are contained, so that the high quality of data is ensured, an experiment carried out on the basis of a data set is more rigorous, and a solid foundation is provided for improving the robustness and accuracy of a recognition algorithm.

The invention relates to the technical field of chemical analysis and detection, and discloses a method for detecting the content of calcium hydroxide in calcium-based desulfurized fly ash. The method comprises the following steps: S1, drying and grinding a calcium-based desulfurization ash sample, and sieving with a 200-mesh sieve to obtain a pretreated sample; s2, the pretreated sample with the mass being W0 is placed in a thermogravimetric analyzer and heated to T at the heating rate of 5-15 DEG C / min in the nitrogen atmosphere, W0 is larger than or equal to 30 mg, and T is larger than or equal to 550 DEG C; s3, the weight loss ratio delta W1 in the interval of 400-550 DEG C is obtained, and the content W1 of calcium hydroxide in the calcium-based desulfurized fly ash is calculated according to a formula. According to the method, the calcium-based desulfurized fly ash is heated to 550 DEG C by utilizing a thermogravimetric analysis method, the weight loss at the interval of 400-550 DEG C is the weight of water lost when calcium hydroxide is decomposed into calcium oxide and water, and the content of the calcium hydroxide can be calculated according to a chemical equation for decomposing the calcium hydroxide and the weight of the lost water. The method is simple to operate and high in accuracy.

The present invention discloses a method for predicting the inclination angle of a flame, an electronic device, and a storage medium. When an oil pool fire occurs in a current tunnel, the stoichiometric air-fuel ratio of the fuel is obtained through the chemical equation of the fuel under complete combustion; based on the dimension types included in the parameters, the parameters are divided to obtain basic physical quantities and remaining parameters; the wind speed, stoichiometric air-fuel ratio, and remaining parameters are respectively made dimensionless with the basic physical quantities to obtain target values; based on the target stoichiometric air-fuel ratio, target wind speed, mass loss rate of the target fuel, and basic physical quantities in the target values, dimensionless processing is carried out to obtain a target ratio; and based on the target ratio, the target tunnel cross-section width, target fire source size, target specific heat capacity of air, and target fire source release rate in the target values, the inclination angle of the flame is determined. The present invention can accurately predict the inclination angle of the flame considering the tunnel space effect.

The invention provides an odor concentration evaluation method and system and a storage medium, and the method comprises the steps: constructing an initial three-dimensional space model of an area where an emission point and a sensitive point are located, and carrying out the mesh generation of the three-dimensional space model, and obtaining a mesh three-dimensional space model; encrypting the grid three-dimensional space model to obtain an encrypted three-dimensional space model; obtaining initial meteorological information of the region, and reanalyzing the initial meteorological information to determine encrypted grid meteorological information of each grid in the encrypted three-dimensional space model; acquiring emission odor information of the emission point, and processing the emission odor information by using a preset three-dimensional Euler mesh model to obtain odor diffusion information; obtaining actual odor information of the sensitive points based on the odor diffusion information, the encrypted grid meteorological information and a preset chemical equation; and generating an adjusting signal according to the actual odor information and the preset concentration information. According to the application, the diffusion concentration of complex gases such as odor can be evaluated, and the emission information at the emission source can be accurately analyzed according to the concentration of the set sensitive point.

The application discloses an optimization method for improving P2G heat utilization rate and heat coupling of carbon capture equipment, and comprises the following steps: deducing reaction heat of an electric-to-gas process according to a chemical reaction equation, and optimizing and improving a traditional P2G model; delivering the reaction heat of the P2G deduced in step 1 to a carbon capture equipment, and using the heat to supply the carbon capture, so as to strengthen heat coupling of the P2G and the carbon capture equipment; applying the IP2G model and the carbon capture device to a comprehensive energy system; taking annual operation cost saving rate, primary energy saving amount and carbon dioxide emission reduction as objective functions, taking device configuration of the comprehensive energy system as variables, setting constraint conditions, and adopting a meerkat algorithm as a solving algorithm to perform optimization configuration solving. The application deduces the heat by studying a chemical equation in a reaction process of the P2G, and the application is applied to the comprehensive energy system, so that the energy storage cost performance of the P2G equipment can be improved, the primary energy consumption amount can be reduced, and the annual operation cost can be effectively reduced.

The invention discloses a water-force-chemical full coupling establishment method influenced by fixed charges of clay and application, and relates to the technical field of environmental geotechnical engineering.The method comprises the following steps that Donna seepage pressure controlled by the fixed charges is introduced into a soil deformation control equation on the basis of a stress balance equation and mass conservation of pore fluid and pollutants; establishing a generalized effective stress formula; by establishing a generalized consolidation equation and a generalized Darcy law considering the fixed charge influence, the coupling behavior of the water-force-chemical full coupling equation of the saturated soil layer in the refuse landfill situation is accurately depicted. The water-force-chemical full coupling equation comprehensively considers the effect of the key element of the fixed charge on the saturated soil layer, and can accurately estimate the pore water pressure change, the sedimentation situation and the solute transport situation of the saturated soil layer under different fixed charge conditions; and scientific basis and technical support are provided for design and operation evaluation of the refuse landfill barrier.

The Handheld Chemical Equation Balancing Device is a utility model designed to address students' difficulty in balancing chemical equations; a key competency aligned with the Law of Conservation of Mass. Challenges often include assigning correct coefficients, identifying relationships between reactants and products, and applying multiplicative reasoning. The device is a foldable apparatus with two hinged divisions, each containing a writing panel and manipulatives. It uses colorcoded movable beads to represent atoms and rotatable hexagonal nuts with numerical multipliers to assist in determining coefficients. The method of use involves unfolding the device, writing the equation, representing elements with beads, identifying imbalances, and adjusting coefficients through nut rotation and bead repositioning until both sides are equal. Compact and non-electronic, the device promotes active, visual, and kinesthetic learning.

The present invention discloses a data processing method, device, electronic device and computer-readable storage medium. The method comprises: obtaining data to be encrypted; selecting a target compound corresponding to the data to be encrypted; determining a predetermined chemical equation for synthesizing the target compound; determining the chemical elements and reaction conditions in the predetermined chemical equation; encrypting the data to be encrypted according to the chemical elements and reaction conditions in the predetermined chemical equation to obtain ciphertext data. The present invention solves the technical problem in the related art that the encryption method is single and easy to be cracked when encrypting the data to be encrypted.

The invention provides a high-voltage cable arc fault risk assessment method and device constructed based on a dynamic fire source and a cable pyrolysis combustion model, and the method comprises the steps: firstly constructing an electric characteristic calculation model of an overhead line-cable mixed line arc fault; acquiring voltage and current characteristic data of the cable arc fault under different relay protection strategies; secondly, constructing a cable arc fault model, obtaining a change relation of arc temperature along with time based on characteristic data simulation, and constructing a time-varying arc fire source; then testing thermal and chemical parameters of the cable material sample to obtain material test data; building a pyrolysis model of the cable material based on material test data, and balancing a combustion chemical equation; integrating the obtained model and data, and constructing a fault risk assessment model; and finally, calculating characteristic parameters representing the combustion intensity of the cable by using the model, and judging the risk level of the cable ignited by the electric arc. According to the invention, the electric arc fault ignition risk of the cable can be accurately determined.

The present invention provides a method for calculating the interfacial Gibbs free energy in a microinterface system, comprising the following steps: (A) establishing a Gibbs free energy equation for gas dissolution in a solution; (B) establishing a chemical equation for gas dissolution in a solution; (C) obtaining the Henry coefficient based on the equivalence principle between the equilibrium constant and the Henry coefficient; and (D) establishing a relationship between the interfacial Gibbs free energy and the thickness of the mass transfer boundary layer in the microinterface system. The calculation method of the present invention is dedicated to exploring interfacial effects and establishing a related control model. By fitting experimental data, a model of interfacial Gibbs free energy and mass transfer membrane thickness based on different operating conditions and liquid properties is established. The model provides a quantitative contribution of interface and size effects to optimize the design and operation of microinterface enhanced reactors.