A method and system for OVOCs species quantification and photochemical activity assessment

Abstract

The application discloses an OVOCs species quantification and photochemical activity evaluation method and system, and belongs to the technical field of atmospheric pollution prevention and control; based on full open data, by constructing an OVOCs artificial emission source classification system conforming to local characteristics, integrating full open activity level, emission factor, control efficiency and source spectrum data, introducing industry structure differentiation parameter optimization, the accurate quantification of OVOCs in different regions, different industries and different species is realized; taking high-activity OVOCs as the core, the ozone formation potential of OVOCs is calculated, and the photochemical activity evaluation is completed; a spatial distribution method suitable for the emission characteristics of the industry is constructed, and the fine spatial representation of OVOCs is realized; and an integrated system is formed, without field investigation throughout the whole process, so that the process is fully open and reproducible.

Description

Technical Field

[0001] This invention relates to the field of air pollution control technology, specifically to a method and system for species-specific quantification and photochemical activity assessment of OVOCs (oxygenated volatile organic compounds). Background Technology

[0002] An atmospheric pollutant emission inventory refers to a standardized data output formed within a specific time and space range, integrating pollutant emission data from various pollution sources through standardized monitoring and accounting methods. This data can be directly used for pollution control, treatment scheme design, and emission limit setting. Among these, the anthropogenic volatile organic compound (VOCs) emission inventory, species-specific quantitative data, and photochemical activity assessment results are crucial foundational information for analyzing the formation mechanism of regional atmospheric compound pollution and formulating precise VOCs control schemes. Furthermore, they support the analysis of ozone (O3) and fine particulate matter (PM2.5). 2.5 The core scientific basis for coordinated prevention and control plays an irreplaceable role in the fields of atmospheric environmental chemistry research and environmental management decision-making, and is directly related to the efficiency of pollution control and the scientific nature of decision-making.

[0003] Among the chemical components of anthropogenic VOCs, OVOCs are a key component affecting air quality—OVOCs are not only highly reactive precursors to O3 formation, with significantly higher reactivity than most hydrocarbon VOCs, but also a major contributor to PM2.5 formation. 2.5 Secondary organic aerosols (OVOCs) are important precursors and have a decisive impact on regional atmospheric oxidation and the formation and evolution of complex pollution. However, current research on OVOCs still has significant shortcomings: OVOCs are diverse in species, complex in sources, and exhibit significant differences in emission characteristics. Existing studies are mostly rudimentary, and existing VOC emission inventories mainly focus on the total amount of VOC emissions. Furthermore, studies on VOC emission inventories by species typically concentrate on hydrocarbon species such as alkanes, alkynes, alkenes, and aromatics. Comprehensive and accurate large-scale quantitative research on anthropogenic OVOCs by species has yet to be achieved. Refined species-specific research on OVOCs remains weak, which prevents a full understanding of the impact of OVOCs on the atmospheric environment and limits the precision of related pollution control efforts.

[0004] Meanwhile, the assessment of the photochemical activity of OVOCs lacks a systematic and comprehensive technical solution. Existing research has failed to conduct comprehensive ozone formation potential calculations and quantification studies focusing on highly reactive OVOCs such as alcohols, aldehydes, and ketones. This makes it impossible to accurately clarify the contributions of OVOCs and various VOC components to photochemical reactions, further restricting the targeted and scientific nature of ozone pollution control. In addition, existing technologies have not yet formed a complete integrated solution for obtaining large-scale OVOCs quantification by industry and species, photochemical activity assessment, and spatially refined characterization using fully publicly available data. Related technologies and research are mostly limited in application scope, generally focusing on the construction of VOCs emission inventories at the scale of a single emission source, a specific industry, or a certain region. They have failed to achieve large-scale, industry-wide OVOCs quantification by species and photochemical activity assessment, making it difficult to meet the needs of large-scale coordinated prevention and control of air pollution.

[0005] Currently, the mainstream technical approaches for inventory construction mainly include bottom-up methods based on surveys and top-down methods based on statistical data. However, both of these methods have significant limitations and cannot meet the application requirements of species-specific OVOC inventory construction, spatial fine characterization, and photochemical activity assessment, as detailed below.

[0006] (1) The bottom-up approach based on surveys suffers from high implementation costs, limited applicability, and insufficient dynamic updating capabilities. This method typically requires on-site investigations of each enterprise to obtain key information such as emission activity levels, raw material usage, process characteristics, and industry emission factors, based on which the pollution source emissions are calculated. Although this method can obtain emission data from specific pollution sources in a relatively targeted manner within a local area and has a certain accuracy advantage, it still has the following drawbacks:

[0007] First, it requires conducting on-site surveys of each enterprise, which involves a large workload, a long implementation period, and high human, material, and time costs, making it difficult to support the routine construction of anthropogenic OVOCs species lists at the provincial level and above.

[0008] Secondly, a significant portion of the core information relied upon, such as activity level data, process parameters, and emission factors, is non-public data from enterprises, which presents problems such as difficulty in obtaining it, low transparency, and poor completeness, making it difficult to achieve unified coverage across a wide range of industries.

[0009] Third, this method relies heavily on offline surveys and manual updates, making it difficult to respond in a timely manner to changes in industrial activities, fluctuations in enterprise production, and adjustments in the structure of pollution sources. It also fails to form a dynamic update mechanism for the OVOCs emission inventory and its photochemical activity results.

[0010] Fourth, the existing survey and accounting system usually focuses on total VOCs or industry totals, lacking a refined species identification and quantification logic for key OVOCs components, which makes it difficult to meet the needs of characterization of photochemical reaction-sensitive components and evaluation of their activity contribution.

[0011] (2) The "top-down" estimation method based on statistical data suffers from problems such as insufficient species resolution, insufficient spatial precision, and poor regional adaptability. This method typically relies on industry statistical yearbooks, economic data, energy consumption data, and general emission factors to make an overall estimate of regional VOCs emissions. Compared with field survey methods, it has certain efficiency advantages in large-scale and rapid calculation, and has less dependence on enterprise-level surveys, so it is widely used in the compilation of regional emission inventories. However, this method also has the following key drawbacks:

[0012] First, this method usually focuses on regional total amount estimation and often ignores spatial distribution issues. It is difficult to reflect the fine spatial distribution characteristics of pollution sources at the scale of cities, industrial parks and industry clusters, and cannot support the spatial fine-grained characterization of OVOCs.

[0013] Second, most existing accounting systems take total VOCs (TVOCs) emissions as the core target and lack species-specific inventory compilation methods for key components of OVOCs. In particular, it is difficult to achieve systematic quantification of highly reactive oxygen-containing volatile organic compounds such as aldehydes, ketones, alcohols and esters, and therefore cannot directly support photochemical activity assessment and ozone generation contribution analysis.

[0014] Third, the inconsistent statistical data from different sources, the inconsistent classification standards, and the lack of standardized parameter systems make it difficult for the results to be directly used for air quality model input, photochemical mechanism analysis, and precise control decisions.

[0015] Fourth, existing methods typically use uniform or empirical emission parameters, lacking targeted optimization for differences in industrial structure, process characteristics, and regional emission characteristics across different provinces, resulting in insufficient regional adaptability and reliability of the quantification results.

[0016] In summary, existing technologies, whether using a bottom-up or top-down approach, cannot simultaneously address the availability of publicly available data, the ability to quantify OVOCs by species, the ability to perform detailed spatial characterization, the ability to dynamically update data, and the ability to adapt to regional differences. Therefore, they cannot effectively solve the key technical challenges in constructing OVOCs inventories and assessing their photochemical activity.

[0017] Therefore, developing an integrated method and system for large-scale OVOCs species quantification and photochemical activity assessment based on fully publicly available data is crucial. This approach focuses on OVOCs, a highly reactive core component, addressing shortcomings in existing research such as insufficient detail and incomplete species coverage. It innovatively incorporates regional industrial structure differentiation parameter optimization and leverages fully publicly available data to achieve integrated output of multi-dimensional results. This system can accurately identify highly reactive key OVOCs species and emission hotspots across various industries within a large area, clarifying their photochemical activity contributions and providing a scientific basis for the formulation of differentiated control policies. Simultaneously, high-precision industry-specific and species-specific data, photochemical activity assessment results, and spatially refined characterization results can optimize air quality model input parameters, improve the accuracy of pollution cause analysis, and provide reliable data support for atmospheric chemistry research and synergistic efforts in pollution reduction and carbon reduction. This approach has significant practical value and scientific significance. Summary of the Invention

[0018] To overcome the shortcomings of the existing technologies, this invention provides a method and system for species-specific quantification and photochemical activity assessment of OVOCs. It is an integrated technology for large-scale species-specific quantification and photochemical activity assessment of OVOCs based on fully public data. It constructs a species-specific emission quantification inventory of OVOCs and conducts photochemical activity assessment based on fully public data, realizing automated data matching, dynamic updating of results, and one-click output of multiple results. The entire process does not require on-site investigation by enterprises, and the process is fully public and reproducible.

[0019] This invention is based on fully publicly available data. By constructing a localized classification system for anthropogenic OVOCs emission sources, it integrates fully publicly available activity levels, emission factors, control efficiencies, and source spectrum data. It also incorporates industry-specific parameter optimization to achieve precise quantification of OVOCs by region, industry, and species. Simultaneously, focusing on highly reactive OVOCs, it calculates the ozone generation potential of OVOCs and completes photochemical activity assessment. Furthermore, it constructs a suitable spatial allocation method based on industry emission characteristics to achieve refined spatial characterization of OVOCs. Finally, it forms an integrated system that enables automated data matching, dynamic result updates, and one-click output of multiple results. The entire process requires no on-site investigation by enterprises, ensuring full transparency and reproducibility.

[0020] The technical solution provided by this invention is:

[0021] An integrated method for species-specific quantification and photochemical activity assessment of OVOCs based on fully publicly available data includes the following steps:

[0022] 1) Construct a classification system for anthropogenic OVOCs emission sources that can reflect the characteristics of local pollution sources, identify the main emitting industries and subcategories of OVOCs, and lay the foundation for subsequent quantification by industry and species.

[0023] 2) Investigate the fully disclosed activity level data required to estimate anthropogenic OVOCs emissions, establish standardized collection, screening and integration processes, and incorporate regional industrial structure differentiation parameter optimization to achieve automated matching and standardized processing of activity level data;

[0024] 3) Construct a fully public emission factor database for estimating anthropogenic OVOC emissions, and ensure the accuracy and suitability of emission factors through multi-source verification and standardization.

[0025] 4) Construct a fully public pollutant control efficiency database for estimating anthropogenic OVOC emissions, and establish standardized control efficiency databases for various industries;

[0026] 5) Based on the data obtained in steps 1)-4), combined with the regional industrial structure differentiation parameters, an anthropogenic VOCs emission inventory by scope and industry is calculated, providing a basis for the species-specific quantification of OVOCs;

[0027] 6) Investigate and summarize publicly available VOCs source spectrum information, with a focus on improving the data on the proportion of OVOCs (approximately 60 species) by species, constructing a standardized VOCs source spectrum database covering all sub-sectors, and clarifying the quality proportion of OVOCs by species in each industry;

[0028] 7) Based on the VOCs emission inventory obtained in step 5) and the source spectrum database obtained in step 6), calculate the quantitative inventory of OVOCs by province, industry, and species, and realize the accurate segmentation of OVOCs species data;

[0029] 8) Conduct photochemical activity assessment of OVOCs: Focusing on highly active OVOCs such as alcohols, aldehydes and ketones, calculate the ozone generation potential of about 60 OVOCs and complete the quantification and ranking of the photochemical activity contribution of each species.

[0030] 9) Construct a fully public spatial database in raster and line vector formats, perform standardized preprocessing, and adapt to the spatial fine representation requirements of OVOCs.

[0031] 10) Based on the species-specific quantitative list of OVOCs obtained in step 7) and the spatial substitution data obtained in step 9), an industry-specific spatial allocation method is used to complete the refined spatial characterization of OVOCs species.

[0032] Furthermore, an integrated system can be built to combine the above steps, realize automated matching of activity levels and dynamic updating of quantitative results, and output precise data for each species, photochemical activity contribution assessment and spatial fine characterization results with one click without the need for enterprise surveys.

[0033] In specific implementation, this invention, based on the above method, realizes a system for species-specific quantification and photochemical activity assessment of OVOCs based on fully publicly available data, including: a file management module, a local data interaction terminal, a data editing module (including a data verification submodule), a data analysis module, a list statistics module, a chart generation module, and a result export and storage module. Wherein:

[0034] The file management module serves as the software's data entry point, enabling the creation, reading, saving, and saving as operations of data files, and facilitating bidirectional data transmission with the local data interaction terminal.

[0035] The local data interaction terminal serves as the interface between the software and local devices, enabling the storage and retrieval of basic data files and the import of external data.

[0036] The data editing module receives data sources and performs operations such as inputting, adding, deleting, and modifying basic emission source data. It also includes a built-in data verification submodule. This submodule verifies data integrity and format consistency, provides error messages to the user, and returns the data to the data editing module if the verification fails. The data continues until the verification passes, at which point it flows to the data analysis module.

[0037] The data analysis module receives the verified compliance data, automatically calculates VOC emissions based on activity level and VOC emission factor, calculates a species list based on VOC emissions and VOC source spectrum information, obtains ozone generation potential based on the species list and photochemical activity parameters, and ranks their photochemical activity contributions.

[0038] The inventory statistics module receives the calculation results from the data analysis module and generates three core inventories: VOCs emission inventory, VOCs species inventory, and reactive VOCs species inventory.

[0039] The chart generation module receives inventory statistics and generates visual charts such as emission percentage pie charts and industry contribution percentage charts.

[0040] The results export and storage module receives list data and chart data, and can export and back up data in Excel spreadsheet and image formats. It can also store exported Excel spreadsheets, visualization images, etc. as the final output.

[0041] Compared with the prior art, the beneficial effects of the present invention are:

[0042] This invention provides a method and system for species-specific quantification and photochemical activity assessment of OVOCs. It is the first to utilize a fully publicly available data acquisition database of activity levels; it introduces adjustments for industry-specific parameters; it uses a top-down approach to estimate activity level data; it incorporates control efficiency parameters for VOC emissions; it constructs a more complete database of emission factors, control efficiency, and VOC source profiles; and it includes more species, encompassing C2-C11 OVOCs including alcohols, aldehydes, and ketones, and assesses their photochemical activity. The technical advantages of this invention include:

[0043] (1) Filling the gap in refined research on OVOCs: This invention focuses on OVOCs as a core component, and achieves precise quantification at the provincial, industry and species levels on a large scale, covering about 60 OVOC species (including C2-C11, alcohols, aldehydes and ketones, such as formaldehyde, acetaldehyde, methanol, ethanol and acetone, etc.), making up for the shortcomings of the existing technology in OVOCs research being rough and incomplete in species coverage, highlighting the innovation and practicality of the research, and providing accurate basic data for atmospheric chemistry research related to OVOCs;

[0044] (2) Improve the photochemical activity assessment system: This invention takes highly active OVOCs as the core, completes the ozone generation potential calculation and photochemical activity assessment of about 60 kinds of OVOCs, accurately clarifies the contribution of OVOCs to photochemical reactions and ozone generation, provides scientific support for the precise prevention and control of ozone pollution, and improves the pertinence and effectiveness of pollution prevention and control.

[0045] (3) Breaking through the bottleneck of dependence on non-public data: This invention uses fully public data throughout the process, eliminating the need for on-site investigation to obtain non-public information of enterprises, greatly reducing manpower, material resources and time costs. At the same time, it establishes a standardized data processing flow to solve the problem of large differences in data between provinces and the difficulty of integration, realizes that the calculation process is fully public and reproducible, and improves the promotion of technology and the consistency of results.

[0046] (4) Improve the accuracy of quantitative and spatial characterization: By integrating the optimization of differentiated parameters of regional industrial structure, improve the regional adaptability of OVOCs quantitative results; combine industry emission characteristics to construct specific spatial allocation methods to achieve refined spatial characterization of OVOCs, accurately locate emission hotspots, and provide precise support for industry-level differentiated management and control.

[0047] (5) Achieve integrated, efficient and convenient application: The integrated system realizes automatic matching of activity levels and dynamic updating of quantitative results. It can output multi-dimensional results with one click without enterprise surveys, simplifying the operation process, shortening the output cycle, and improving the collaborative efficiency of environmental management decision-making and scientific research. At the same time, the high-resolution data produced can optimize the input parameters of the air quality model, improve the accuracy of pollution cause analysis, and provide reliable support for the synergistic effect of pollution reduction and carbon reduction. Attached Figure Description

[0048] Figure 1 This is a flowchart of the integrated system and method for large-scale OVOCs species quantification and photochemical activity assessment based on fully disclosed data, as per the present invention.

[0049] Figure 2 This is a structural block diagram of an integrated system for species-specific quantification and photochemical activity assessment of OVOCs based on fully publicly available data. Detailed Implementation

[0050] The present invention will be further described below with reference to the accompanying drawings and embodiments, but these embodiments do not limit the scope of the invention in any way. These embodiments illustrate the best mode of implementation of the invention in detail, enabling those skilled in the art to fully reproduce the invention according to the description.

[0051] This invention provides an integrated method and system for large-scale species-based quantification and photochemical activity assessment of OVOCs based on fully public data. It designs a method system for constructing anthropogenic emission inventories of OVOCs that is entirely based on public data, reproducible, refined to the species level, and capable of high-resolution spatial allocation. By constructing a three-level emission source classification system localized to China, the system integrates activity level, emission factor, and control efficiency data, and combines a standardized source spectrum database to achieve species-based decomposition of OVOCs. Finally, it uses industry-adaptive spatial substitution data and spatial allocation models to achieve high-resolution rasterized allocation. Methodologically, this invention solves the key technical bottlenecks of existing technologies, such as strong dependence on non-public data, poor reproducibility, insufficient industry and species refinement, and coarse spatial allocation.

[0052] This invention is based on fully publicly available data. By constructing a classification system for anthropogenic OVOCs emission sources that conforms to the local characteristics of China, it integrates fully publicly available activity levels, emission factors, control efficiencies, and source spectrum data. It also introduces regional industrial structure-differentiated parameters for optimization, achieving precise quantification of OVOCs by region, industry, and species. Simultaneously, focusing on highly reactive OVOCs, it calculates the ozone generation potential of approximately 60 OVOCs and completes photochemical activity assessment. Combined with industry emission characteristics, it constructs an appropriate spatial allocation method to achieve refined spatial characterization of OVOCs. Finally, it forms an integrated system that enables automated data matching, dynamic result updates, and one-click output of multiple results. The entire process requires no on-site investigation by enterprises, ensuring full transparency and reproducibility.

[0053] This embodiment discloses an integrated method and system for species-specific quantification and photochemical activity assessment of OVOCs based on fully public data. Specific implementation steps are as follows: Figure 1 As shown, this corresponds to steps 1) to 11) in the invention description.

[0054] Step 1: Construct a classification system for anthropogenic OVOCs emission sources

[0055] Based on the data on the distribution characteristics of pollution sources and industries in China accumulated in previous surveys by our research group, and taking the "Technical Guidelines for the Compilation of Urban Air Pollutant Emission Inventories" as the core basis, combined with a series of pollutant inventory compilation guidelines published by the Ministry of Ecology and Environment (such as the "Guidelines for the Compilation of Atmospheric Volatile Organic Compound Source Emission Inventories", the "Technical Guidelines for the Compilation of Road Motor Vehicle Air Pollutant Emission Inventories (Trial)", the "Technical Guidelines for the Compilation of Non-Road Mobile Source Air Pollutant Emission Inventories (Trial)", and the "Technical Guidelines for the Compilation of Biomass Combustion Source Air Pollutant Emission Inventories (Trial)"), we have constructed a three-level classification system that can reflect the localized pollution source characteristics in China and focus on OVOCs emissions, ensuring coverage of major anthropogenic OVOCs emission industries in various regions.

[0056] The primary emission sources include 11 categories: process emission sources, solvent use emission sources, road mobile emission sources, non-road mobile emission sources, storage and transportation emission sources, biomass combustion emission sources, fossil fuel stationary combustion emission sources, power plant emission sources, catering emission sources, residential emission sources, and waste treatment emission sources. The secondary emission sources are subcategories of the primary emission sources, such as process emission sources being divided into food manufacturing, agricultural and sideline food processing, textile manufacturing, and chemical raw materials and chemical products manufacturing. The tertiary emission sources are further industry-specific refinements of the secondary emission sources, such as chemical raw materials and chemical products manufacturing being divided into sulfuric acid, caustic soda, ethylene, chemical pesticide technicals, and synthetic ammonia, ensuring that each tertiary source category can accurately correspond to the OVOCs emission process, laying the foundation for subsequent industry-level OVOCs species-specific accounting.

[0057] Step 2: Standardization and Automated Matching of OVOCs Activity Level Data

[0058] The core of this step is to utilize fully public data, through standardization and regional parameter optimization, to achieve automated matching of activity levels. The specific method is as follows:

[0059] (1) Constructing an activity level database: The system collects activity level data corresponding to each third-level industry category through the official website of the National Bureau of Statistics, the China Statistical Yearbook, the China Energy Statistical Yearbook, the China Rural Statistical Yearbook, and the local statistical yearbooks published by the statistical bureaus of various provinces, autonomous regions, and municipalities directly under the Central Government. This includes, but is not limited to, the output of each product, the energy consumption of each industry, the number of motor vehicles, the output of each crop, and the freight / passenger turnover of each region. All data are from fully public channels and do not require any non-public information from within enterprises.

[0060] (2) Top-down method for allocating activity level databases for missing industries: For some emission sources / industries (such as solvent use sources) where corresponding industry data is difficult to obtain directly from public sources such as statistical yearbooks, it can be allocated to smaller-scale industry data based on relevant data or alternative data at a larger level. For example, if activity level data for a certain province or city is unavailable, relevant activity level / total emission data at the national level can be collected, and combined with publicly available data on the provincial and municipal industry proportions of various product categories (such as coatings, inks, etc.) in each province and city, the total emission data can be allocated to the corresponding industries in each province and city to obtain the provincial and municipal industry-specific activity level data for that part.

[0061] (3) Standardization and quality control of activity level data: Standardize the activity level data of the survey, unify the data units (such as converting kilograms and 10,000 tons into tons), and the statistical caliber (unify the provincial annual statistical caliber), and remove outliers (remove data that deviates too much from the mean or match according to regional differences) to ensure the consistency and reliability of data in various industries and lay the foundation for subsequent automated matching.

[0062] (4) Optimization of Differentiated Parameters for Industrial Structure: Combining the differences in industrial structure across different regions, publicly available differentiated parameters such as the industrial proportion and production process parameters of key industries in each region (e.g., the chemical industry in Jiangsu Province, the electronic solvent-using industry in Guangdong Province, etc.) are extracted to construct a differentiated parameter library for industrial structure in each region. This parameter library is then linked with the collected activity level data to achieve automated matching of activity level data from different regions and industries, thereby improving the regional adaptability of the data (e.g., for provinces with a high proportion of the chemical industry, the matching weight of the activity level data for the chemical industry is optimized to ensure quantitative accuracy). The following calculation formula is used to optimize the activity level data for differentiation:

[0063]

[0064]

[0065] In the formula, w i Y represents the weight corresponding to the i-th region; i The correction parameter for the industry value or production process corresponding to the i-th region is in ten thousand yuan or dimensionless (determined according to the characteristics of industry data). The sum of industrial value or the sum of modified parameters for all regions within this scope, expressed in ten thousand yuan or dimensionless (and Y). i (Units remain consistent); A represents the corrected activity level data, with units such as pieces, tons, kilometers, etc. (determined according to industry characteristics); A i This represents the activity level data corresponding to the i-th region, in units such as pieces, tons, kilometers, etc. (determined according to industry characteristics).

[0066] (5) Rapid and automated database matching and calling: Through the data analysis module built into the integrated system, preset data matching rules (associating with three-level industry classification, regional parameters, etc.) are used to organize the corrected activity level data according to the three-level industry classification and control technology type, and construct an activity level database that can be called by the integrated system, so as to realize the automatic capture, automatic classification and automatic matching of fully public activity level data without the need for manual input and matching.

[0067] Step 3: Multi-source screening, verification, and standardization determination of OVOCs emission factors

[0068] The core of this step is to screen fully publicly available emission factors that are suitable for OVOCs quantification, and to ensure accuracy through multi-source verification. The specific methods are as follows:

[0069] (1) Constructing an emission factor benchmark database: The national official technical documents such as the "Technical Guidelines for the Compilation of Urban Air Pollutant Emission Inventories" approved by the Chinese Society for Environmental Sciences and the "Technical Guidelines for the Compilation of Atmospheric Volatile Organic Compound Source Emission Inventories" issued by the Ministry of Ecology and Environment are used as benchmarks. The data sources are reliable, and their classification system is clear and their accounting methods are in line with the emission characteristics of industries in my country. They mainly cover OVOCs-related emission industries, which are suitable for the needs of inventory compilation and ensure the pertinence and technical rigor of this invention.

[0070] (2) Reconstruct the emission factor database: assign different weights according to the authority level of national documents > provincial documents > municipal documents to enhance the data authority, standardization and regional comparability, and finally form an emission factor dataset with clear hierarchy and reliable source.

[0071] (3) Dynamic mapping of emission factors based on industry attributes: For sub-sectors, processes, or special operating conditions with a high proportion of OVOCs emissions that are not covered in the aforementioned authoritative guidelines, industry-measured emission factors published in high-quality literature will be used as supplementary data. The literature selection criteria are: research results that are measured using the national standard method, have a sufficient sample size (sample number ≥ 30), clearly indicate the industry and process type, and are published in core journals, so as to improve the OVOCs emission factor dataset and fill the gap in the guidelines in the field of refined industry accounting.

[0072] (4) Comprehensive judgment and selection of multi-source data differences: If there are significant differences in industry emission factors from different sources (guidelines or literature) (relative deviation ≥30%), then a comprehensive judgment should be made in combination with the actual working conditions of the industry in the study area (such as production process parameters, equipment level, pollution control level), OVOCs emission characteristics, etc., to select more reasonable and applicable emission factors and avoid the impact of single data source deviation on the accuracy of OVOCs quantification.

[0073] (5) Data standardization and quality control: The data in the constructed emission factor database are converted and standardized to ensure that the units match the corresponding industry activity level data (e.g., the activity level is tons, and the emission factor is converted to grams / ton), forming a unified and standardized parameter system.

[0074] (6) Rapid and automated database matching and calling: Through the data analysis module built into the integrated system, preset data matching rules are used to organize the standardized emission factor data according to the three-level industry classification and control technology type, and an emission factor database that can be called by the integrated system is constructed to realize the automatic capture, automatic classification and automatic matching of fully public emission factor data without the need for manual input and matching.

[0075] Step 4: Construction and Standardized Integration of OVOCs Control Efficiency Library

[0076] The core of this step is to build a standardized control efficiency database for various industries to support accurate calculation of OVOCs emissions. The specific methods are as follows:

[0077] (1) Construct a control efficiency benchmark database: systematically collect publicly available literature such as core Chinese and English journals, dissertations, and industry reports, and survey and summarize the control efficiency data of VOCs (with a focus on OVOCs) end-of-pipe control technologies (such as adsorption, absorption, catalytic combustion, and thermal combustion) for various industries and processes; at the same time, refer to publicly available documents such as pollution control technical specifications and environmental impact assessment reports issued by the Ministry of Ecology and Environment and industry authorities to construct a control efficiency database for the entire industry.

[0078] (2) Data standardization and quality control: Statistical analysis is performed on the constructed control efficiency data, outliers are removed by industry classification, and the weighted average method (with the number of enterprises or production capacity of the industry applying the control technology as the weight, and the weight data comes from the publicly available industry statistical report) is used to determine the standardized control efficiency data corresponding to each industry and each control technology; if an industry does not take any control measures, the control efficiency η=0.

[0079] (3) Rapid and automated database matching and calling: Through the data analysis module built into the integrated system, preset data matching rules are used to organize the standardized control efficiency data according to the three-level industry classification and control technology type, and a control efficiency database that can be called by the integrated system is constructed to realize the automatic capture, automatic classification and automatic matching of control efficiency data without the need for manual input and matching.

[0080] Step 5: Calculate the VOCs emission inventory from anthropogenic sources in different regions and industries.

[0081] Based on the three-level classification system of anthropogenic emission sources of OVOCs constructed in step 1, and combined with the activity level (A), emission factor (EF), pollutant control efficiency data (η) of each industry constructed in steps 2-4, as well as the regional industrial structure differentiation parameters, the VOCs emissions of each region and industry are calculated using the following formula. The resulting industry-specific anthropogenic VOCs emission inventory provides a basis for subsequent quantification of OVOCs by species:

[0082]

[0083] In the formula, E represents VOC emissions in tons; A represents industry activity level in units such as pieces, tons, or kilometers (determined based on industry characteristics, derived from the calculation results in step 2); EF represents the industry emission factor in units such as grams per kilogram or grams per kilometer (determined based on industry characteristics, and must match the activity level unit); η represents the removal rate of pollutants by the industry's pollutant control measures, dimensionless, with a value range of 0-1. If there are no control measures, then η=0.

[0084] Step 6: Construct a standardized VOCs source spectrum database

[0085] The core of this step is to clarify the proportion of OVOCs by species in each industry, providing support for the quantification of OVOCs by species. The specific method is as follows:

[0086] (1) Construct a source spectrum benchmark database: Organize and summarize the species-specific information on OVOCs emissions from various industries and processes published in domestic and foreign core journals, dissertations, industry standards, and public reports from environmental protection departments, and construct a preliminary source spectrum database for each industry.

[0087] (2) Dynamic mapping of source spectrum data based on localized research: By using the pollution source monitoring data of various industries published by local environmental monitoring departments and the localized industry source spectrum research results released by scientific research institutions, the OVOCs source spectrum data of local characteristic industries (such as regional characteristic chemical processes, local characteristic biomass combustion, etc.) are supplemented and improved, thereby enhancing the localized adaptability of source spectrum data.

[0088] (3) Data standardization and quality control: The constructed source spectrum dataset is screened and integrated, and source spectra with low data reliability (such as non-standard monitoring methods, insufficient sample size, and unclear OVOC species) are removed. Finally, a standardized OVOC source spectrum database covering about 60 OVOCs, including C2-C11, alcohols, aldehydes and ketones, such as formaldehyde, acetaldehyde, methanol, ethanol, acetone, etc., covering all tertiary source classes is established. The quality proportion of different OVOC species in each industry is clarified, and it is ensured that the sum of the proportions of all species in the same industry is 1.

[0089] (4) Fast and automated database matching and calling: The source spectrum database is associated with the integrated system to realize fast query and calling by industry and species, supporting the subsequent automated calculation of species-specific quantification.

[0090] Step 7: Calculate the quantitative list of OVOCs by industry and species

[0091] Based on the VOCs emission inventory of each industry obtained in step 5, and combined with the industry OVOCs source spectrum database obtained in step 6, the OVOCs emissions of each region, industry, and species are calculated, and a list of anthropogenic OVOCs by species is obtained by industry, so as to achieve accurate decomposition of OVOCs by species data of each industry.

[0092] This step automatically retrieves the data from steps 5 and 6 through the integrated system, automatically calculates according to the formula, and outputs quantitative data of OVOCs by region, industry, and species, without the need for manual calculation.

[0093] Step 8: Conduct photochemical activity assessment of OVOCs

[0094] The core of this step is to evaluate the photochemical activity of approximately 60 highly active OVOCs. The specific implementation method is as follows:

[0095] (1) Core objects of assessment: The core of assessment is determined to be about 60 kinds of highly active OVOCs, such as alcohols (e.g., methanol, ethanol), aldehydes (e.g., formaldehyde, acetaldehyde) and ketones (e.g., acetone, butanone), to ensure the comprehensiveness and relevance of the assessment.

[0096] (2) Collection of key parameters: The maximum incremental reactivity (MIR) coefficient (unit: g O3 / g VOCs) of each VOC species was collected through fully public literature, industry standards, scientific research reports and other channels. The MIR coefficients were based on authoritative and publicly available research results (such as the MIR database released by the EPA and measured data from domestic core journals) to ensure the accuracy of the parameters.

[0097] (3) Key parameter similarity substitution and quantitative supplementation: In view of the situation where some OVOCs species lack MIR coefficients, this invention determines the species similarity based on the differences in photochemical activity of species and combined with key features such as the number of carbon atoms and molecular structure. It selects the MIR coefficients of known species with similar photochemical activity and structural features for substitution calculation, completes the supplementation and quantitative processing of the missing species MIR coefficients, and forms a complete MIR database.

[0098] (4) Photochemical activity contribution assessment: Based on the OVOCs emissions of each species obtained in step 7, combined with the constructed complete MIR database, calculate the ozone generation potential of each region, industry and species, calculate the proportion of each OVOCs species in the total ozone generation potential (OFP), sort to obtain a list of highly active OVOCs species, clarify the photochemical activity contribution of each OVOCs species and industry, and complete the quantitative photochemical activity assessment; the assessment results are automatically output through the integrated system to form a visual report.

[0099] This invention improves the calculation method, supplements species lacking MIR coefficients, and provides a simpler way to obtain MIR coefficients, thereby constructing a complete MIR coefficient library.

[0100] Step 9: Standardization and Determination of Industry-Matching Spatial Substitution Data

[0101] The core of this step is to obtain fully public spatial data suitable for refined spatial representation of OVOCs, laying the foundation for subsequent gridding processing. The specific method is as follows:

[0102] (1) Spatial substitution data screening: Based on the OVOCs emission characteristics of different industries, suitable publicly available spatial substitution data are screened:

[0103] ① Industrial source + power source: Obtain publicly available raster data from the China Land Cover Dataset (CLCD);

[0104] ② Traffic Source: Obtain publicly available road network line element vector data (including highways, first-class highways, second-class highways, residential roads, etc.) from Open Street Map (open source map);

[0105] ③ Population Source: Obtain population grid raster data published by LandScan Population Data Explorer;

[0106] ④ Agricultural and biomass combustion sources: Obtain publicly available China Land Cover Data Set (CLCD) land use / cover raster data.

[0107] (2) Data preprocessing: Standardize the acquired spatial substitution data, unify the coordinate system (using WGS-84 coordinate system) and raster resolution (set to 25km×25km, which can be adjusted according to needs), remove spatial abnormal data, and ensure the consistency and operability of the data.

[0108] (3) Rapid and automated database matching and calling: Through the data analysis module built into the integrated system, preset data matching rules are used to organize the standardized source spectrum library data according to the three-level industry classification and control technology type, and a source spectrum database that can be called by the integrated system is constructed to form a spatial data module to support subsequent spatial allocation, realize the automatic capture, automatic classification and automatic matching of fully public source spectrum data, without the need for manual input and matching.

[0109] Step 10: Complete the spatially refined characterization of OVOCs by species and industry.

[0110] Based on the industry-specific OVOC species lists obtained in step 7, and combined with the industry-adaptive spatial substitution data obtained in step 9, an industry-specific spatial allocation method is used to process the provincial species lists into high-resolution data, completing the refined spatial characterization of OVOC species. The specific method is as follows:

[0111] (1) Establishing matching relationships: Based on the OVOCs emission characteristics of various industries, determine the association rules between their spatial distribution and alternative data. For example: traffic sources use Open Street Map road line element vector file data, and allocate emissions according to the proportion of the length of the corresponding level road in the fine grid to the total length in the coarse grid by weighting the length of different levels of roads; residential sources use LandScan population grid data, and allocate emissions according to the proportion of the population in the fine grid to the total population in the coarse grid by the proportion of population density; agricultural sources use China Land Cover Dataset (CLCD) data, and allocate emissions according to the proportion of agricultural land area in the fine grid to the total agricultural land area in the coarse grid by the proportion of agricultural land type / planted area; industrial sources use China Land Cover Dataset (CLCD) data. The China Land Cover Dataset (CLCD) allocates emissions based on the proportion of industrial land area in the fine grid to the total industrial land area in the coarse grid, using the industrial land area ratio as a method. At the same time, it combines the vertical allocation profile to allocate emissions to the corresponding upper atmosphere based on the proportion of the 990hPa pressure layer. The power source uses the China Land Cover Dataset (CLCD) to allocate emissions based on the proportion of power-related land area in the fine grid to the total land area in the coarse grid, using the power industry-related land area ratio as a method. At the same time, it combines the vertical allocation profile to complete the vertical allocation of elevated emissions based on the proportion of the 985-980hPa pressure layer.

[0112] (2) Spatial allocation: Using the spatial allocation model algorithm, the provincial-level OVOCs emissions by industry and species are allocated to each grid cell or vector area according to the above matching rules.

[0113] (3) Data verification and output: The allocated spatial data are verified and corrected. The spatial consistency test method is adopted (the total amount of the region is compared with the total amount of the grid cells, and the error is controlled within 5%) to ensure that the spatial distribution is reasonable and there are no obvious outliers. Finally, the high-resolution spatial emission data of OVOCs by species in various industries are output through the integrated system in grid format (such as GeoTIFF) or line vector format (such as Shapefile) to complete the spatial fine characterization.

[0114] Step 11: Build an integrated system and achieve output results

[0115] The core of this step is to integrate all the above steps to build an integrated system, achieving automated and convenient output of results. The specific implementation is as follows:

[0116] (1) System module construction: such as Figure 2 As shown, the integrated system comprises eight core modules: file management module, local data interaction terminal, data editing module, data verification sub-module, data analysis module, list statistics module, chart generation module, and result export and storage module.

[0117] (2) Implementation of core system functions:

[0118] ①Automatic matching: Through preset rules, the system automatically matches activity levels, emission factors, control efficiency, and source spectrum data without manual intervention;

[0119] ② Dynamic Updates: Set an update cycle (e.g., annual update), automatically capture the latest publicly available data, and complete parameter updates and result recalculation;

[0120] ③ Provincial parameter adaptation: Built-in provincial industrial structure differentiation parameter library, automatically adapts to the data calculation needs of different provinces;

[0121] ④ One-click output: No enterprise survey is required. Just click the “Output Results” button in the system to simultaneously output species-specific precise data (Excel format), photochemical activity contribution assessment report (Word / PDF format), and spatially refined characterization data (raster / vector format).

[0122] In summary, this invention focuses on the core components of OVOCs, constructing a large-scale, industry-specific, and species-specific quantification scheme to fill the gap in existing technologies for refined OVOCs research. It uses fully publicly available data as its core, breaking through the dependence on non-public data, and establishes a standardized data processing workflow, achieving full transparency and reproducibility. It incorporates regional industrial structure differentiation parameter optimization to improve the regional adaptability of the quantification results. It constructs a photochemical activity assessment system centered on highly active OVOCs, clarifying the contribution of OVOCs to photochemical activity. It integrates all functions into a unified system, achieving automated data matching, dynamic updates, and one-click output of multiple results, simplifying the operation process. It retains refined spatial characterization, adopting industry-specific spatial allocation methods to improve spatial accuracy. It addresses the technical problems in existing technologies, such as the large gap in refined OVOCs research, the imperfect photochemical activity assessment system, dependence on non-public data and difficulties in data integration, insufficient support for refined spatial characterization, and the lack of integrated system support, achieving an integrated application of species-specific OVOCs quantification, photochemical activity assessment, and refined spatial characterization.

[0123] It should be noted that the purpose of disclosing the embodiments is to help further understand the present invention. However, those skilled in the art will understand that various substitutions and modifications are possible without departing from the scope of the present invention and the appended claims. Therefore, the present invention should not be limited to the content disclosed in the embodiments, and the scope of protection of the present invention is defined by the scope of the claims.

Claims

1. A method for OVOCs species-specific quantification and photochemical reactivity assessment, characterized in that, Includes the following steps: 1) Construct a classification system for anthropogenic emission sources of oxygenated volatile organic compounds (OVOCs) that reflects the characteristics of local pollution sources, and determine the main emitting industries and subcategories of OVOCs; 2) Investigate the fully disclosed activity level data required to estimate anthropogenic OVOCs emissions and establish standardized collection, screening, and integration processes; It also optimizes the differentiated parameters of regional industrial structure to achieve automated matching and standardized processing of activity level data; Optimization of regional industrial structure differentiation parameters includes: 21) Construct an activity level database: Collect activity level data corresponding to the graded industry categories through fully public channels, including output of each product, energy consumption of each industry, number of motor vehicles, output of each crop, and freight / passenger turnover of each region; 22) The activity level database for missing industries was allocated using a top-down approach to obtain activity level data by region and industry; 23) Standardize and quality control the activity level data; 24) Optimize the differentiated parameters of the industrial structure to obtain the corrected activity level data, which is expressed as: wherein w i is the weight corresponding to the i-th region; Y i is the industrial value or production process correction parameter corresponding to the i-th region; is the sum of the industrial values or correction parameters of all regions; A is the corrected activity level data; A i is the activity level data corresponding to the i-th region; 25) Fast and automated database matching and retrieval: Based on industry classification and control technology type, the weighted activity level data is used to build an activity level database, enabling automatic capture, automatic classification and automatic matching of fully public activity level data; 3) Construct a fully public emission factor database for estimating anthropogenic OVOC emissions, and perform multi-source verification and standardization. 4) Construct a fully public pollutant control efficiency database for estimating anthropogenic OVOC emissions, and establish standardized control efficiency databases for various industries; 5) Based on the data obtained in steps 1)-4), combined with the regional industrial structure differentiation parameters, calculate the anthropogenic VOCs emission inventory by scope and industry, which is used for the species-specific quantification of OVOCs; 6) Based on fully public VOCs source spectrum information, improve the OVOCs species proportion data, construct a standardized VOCs source spectrum database covering subdivided industries, and determine the quality proportion of OVOCs species in each industry; 7) Based on the VOCs emission inventory obtained in step 5) and the source spectrum database obtained in step 6), calculate the OVOCs quantitative inventory by region, industry, and species, and realize the accurate segmentation of OVOCs species data; 8) Conduct photochemical activity assessment of OVOCs: Taking highly active OVOCs as the core, calculate the ozone generation potential of various OVOCs, and quantify and rank the contribution of each species to photochemical activity. 9) Construct a fully public spatial database in raster and line vector formats, perform standardized preprocessing, and filter to obtain spatial substitute data; 10) Based on the species-specific quantitative list of OVOCs obtained in step 7) and the spatial substitution data obtained in step 9), an industry-specific spatial allocation method is used to complete the refined spatial characterization of OVOCs species.

2. The method for species-specific quantification and photochemical activity assessment of OVOCs as described in claim 1, characterized in that, Step 24) To address the differences in industrial structure across different regions, extract publicly available differentiated parameters for key industries and construct a differentiated parameter library for industrial structure in each region. Link the parameter library with the collected activity level data to achieve automated matching of activity level data across different regions and industries, thereby improving the regional adaptability of the data.

3. The method for species-specific quantification and photochemical activity assessment of OVOCs as described in claim 1, characterized in that, Step 3) involves screening fully disclosed emission factors suitable for OVOCs quantification, including the following steps: 31) Construct an emission factor benchmark database; 32) Assign different weights according to level and reconstruct the emission factor database; 33) Conduct dynamic mapping of emission factors based on industry attributes to improve the OVOCs emission factor dataset; 34) Conduct comprehensive analysis of differences in multi-source data and optimize emission factors; 35) Standardize data processing and quality control to form a unified and standardized parameter system; 36) Rapid and automated database matching and retrieval: Construct an integrated system-retrievable emission factor database to achieve automatic capture, classification, and matching of fully public emission factor data, eliminating the need for manual input and matching.

4. The method for species-specific quantification and photochemical activity assessment of OVOCs as described in claim 3, characterized in that, Step 4) specifically includes the following steps: 41) Construct a control efficiency benchmark database; 42) Perform data standardization and quality control: Statistically analyze the constructed control efficiency data, remove outliers by industry category, and use the weighted average method to determine the standardized control efficiency data corresponding to each industry and each control technology; If an industry does not take any control measures, then the control efficiency η = 0; 43) Rapid and automated database matching and retrieval: Construct an integrated system-retrievable control efficiency database to achieve automatic capture, classification, and matching of control efficiency data, eliminating the need for manual input and matching.

5. The method for species-specific quantification and photochemical activity assessment of OVOCs as described in claim 4, characterized in that, Step 5) Calculate the anthropogenic VOC emissions for different regions and industries, expressed as: In the formula, E represents VOC emissions in tons; A represents industry activity level; and EF represents industry emission factor. η represents the removal rate of pollutants by industry pollutant control measures, with a value ranging from 0 to 1. If there are no control measures or devices, then η = 0.

6. The method for species-specific quantification and photochemical activity assessment of OVOCs as described in claim 5, characterized in that, Step 6) Constructing a standardized VOCs source spectrum database includes the following steps: 61) Construct a source spectrum benchmark database; 62) Perform localized dynamic mapping of source spectrum data; 63) Perform data standardization and quality control on the constructed source spectrum dataset; 64) Perform fast and automated database matching and retrieval: Based on the source spectrum database, realize fast query and retrieval by industry and by species for automated calculation of species-specific quantification.

7. The method for species-specific quantification and photochemical activity assessment of OVOCs as described in claim 6, characterized in that, Step 8) Evaluating the photochemical activity of OVOCs includes the following steps: 81) Several highly active OVOCs were identified as the core evaluation targets; 82) Collect key parameters of the maximum incremental reactivity MIR coefficient for each VOC species; 83) Perform key parameter similarity substitution and quantitative supplementation to form a complete MIR database; 84) Conduct a photochemical activity contribution assessment.

8. The method for species-specific quantification and photochemical activity assessment of OVOCs as described in claim 7, characterized in that, Step 10) Performing refined spatial characterization of OVOCs by species and industry includes: 101) Establish matching relationships: Based on the OVOCs emission characteristics of various industries, determine the matching and association rules between their spatial distribution and alternative data; 102) Spatial allocation: Using a spatial allocation model algorithm, the emissions of OVOCs by industry and species are allocated to grid cells or vector regions according to matching association rules; 103) Perform data verification and output: Verify and correct the allocated spatial data, output high-resolution spatial emission data of OVOCs by species in various industries, and complete the spatial fine characterization.

9. An integrated system for species-specific quantification and photochemical activity assessment of OVOCs, implemented using the method described in any one of claims 1 to 8, characterized in that, include: The system comprises a file management module, a local data interaction terminal, a data editing module, a data validation submodule, a data analysis module, a list statistics module, a chart generation module, and a results export and storage module; among which: The file management module is used to create, read, save, and save as data files, and to complete bidirectional data transmission with the local data interaction terminal. The local data interaction terminal serves as the interface between the software and the local device, enabling the storage and retrieval of basic data files and the import of external data. The data editing module is used to receive data sources and perform operations such as inputting, adding, deleting, and modifying basic data of emission sources, as well as to perform data verification. The data analysis module is used to receive the verified compliance data, automatically calculate VOCs emissions based on activity level and VOCs emission factor, calculate a species list based on VOCs emissions and VOCs source spectrum information, obtain ozone generation potential based on the species list and photochemical activity parameters, and rank their photochemical activity contributions. The inventory statistics module is used to receive the calculation results obtained from the data analysis module and generate VOCs emission inventory, VOCs species inventory and reactive VOCs species inventory. The chart generation module receives list statistics and generates visual charts. The results export and storage module is used to receive list data and chart data, and to export formatted data and back up the data.

10. The integrated system for species-specific quantification and photochemical activity assessment of OVOCs as described in claim 9, characterized in that, The data editing module includes a data validation submodule; The data validation submodule is used to verify data integrity and format consistency, and to provide users with data error messages; if the validation fails, it returns to the data editing module until the validation passes, at which point the data flows to the data analysis module.

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