Multi-dimensional adsorbent performance evaluation method

Abstract

The invention provides a multi-dimensional adsorbent performance evaluation method, and belongs to the technical field of performance evaluation, and the method comprises the following steps: carrying out a first test on an adsorbent, recording the mass change of the adsorbent after each cycle, and evaluating the adsorption performance of the adsorbent to obtain a first test result; and carrying out a second test on the adsorbent to determine the anti-sintering capability and the cycling stability of the adsorbent so as to obtain a second test result. Microscopic form change, influence condition and crystal structure of the adsorbent before and after the test are observed, and microscopic characterization of the adsorbent is obtained. And performing multi-scale simulation on the adsorbent according to the microscopic representation, and performing life cycle evaluation on the adsorbent by using a simulation result to obtain a life cycle evaluation result. And an optimization direction is provided for comprehensive performance evaluation of the adsorbent. The invention aims to realize an efficient and low-cost carbon capture technology and promote effective utilization of solid waste resources, and provides a systematic evaluation method to promote the development of the carbon capture technology.

Description

Technical Field

[0001] The present invention relates to the technical field of performance evaluation, and in particular to a multi-dimensional adsorbent performance evaluation method. Background Art

[0002] With the rapid development of human society, the extensive use of fossil fuels has led to a sharp increase in CO2 emissions, causing serious impacts on the global climate and environment. At present, research on adsorbents is mainly concentrated in the experimental testing stage, lacking the comprehensive application of multi-scale simulation and life cycle assessment. At the same time, there is a relative lack of systematic research on calcium-based adsorbents modified from solid waste resources.

[0003] Therefore, the present invention provides a multi-dimensional adsorbent performance evaluation method. Summary of the invention

[0004] The present invention provides a multi-dimensional adsorbent performance evaluation method, which aims to evaluate the adsorption performance and cyclic stability of the adsorbent through experimental testing, reveal its structural changes in combination with microscopic characterization, study the adsorption mechanism using multi-scale simulation, and analyze the environmental impact of the adsorbent through life cycle assessment. This method comprehensively evaluates the overall performance of the adsorbent and proposes optimization directions, which can realize efficient and low-cost carbon capture technology, promote the effective utilization of solid waste resources, provide a systematic evaluation method and promote the development of carbon capture technology.

[0005] The present invention provides a multi-dimensional adsorbent performance evaluation method, comprising: Step 1: Conduct a first test on the adsorbent, record the change in mass of the adsorbent after each cycle, evaluate the adsorption performance of the adsorbent, and obtain the first test result; conduct a second test on the adsorbent to determine the sintering resistance and cycle stability of the adsorbent, and obtain the second test result; Step 2: Observe the microscopic morphology, impact conditions and crystal structure of the adsorbent before and after the test to obtain the microscopic characterization of the adsorbent; Step 3: Perform multi-scale simulation on the adsorbent according to the microscopic characterization, perform life cycle assessment on the adsorbent based on the simulation results, and obtain life cycle assessment results; Step 4: Comprehensively evaluate the performance of the adsorbent by integrating the first test results, the second test results, the microscopic characterization, the multi-scale simulation results, and the life cycle assessment results, and propose optimization directions based on the comprehensive evaluation results.

[0006] The present invention provides a multi-dimensional adsorbent performance evaluation method, wherein the first test includes: using a fixed bed adsorption reaction device to perform a first test of the adsorbent, recording the mass change of the adsorbent after each first test, calculating the adsorption amount and the carbon conversion rate, and drawing an adsorption-desorption reaction curve according to the adsorption amount and the carbon conversion rate, evaluating multiple adsorption performances of the adsorbent, and obtaining the first test results; The second test includes observing the performance decay of the adsorbent during multiple adsorption and desorption processes, combining the adsorption and desorption curves with the microscopic characterization, evaluating the adsorbent's anti-sintering ability, and obtaining the second test results.

[0007] The present invention provides a multi-dimensional adsorbent performance evaluation method, wherein the step of evaluating the multiple adsorption performance of the adsorbent comprises: Based on the cyclic test adsorption and desorption reaction curve, the changing trends of the adsorption amount and carbon conversion rate with the number of cycles were observed. Combining the changing trends with the decay rate of the curve, the multiple adsorption performance of the adsorbent was evaluated to obtain the first test result.

[0008] The present invention provides a multi-dimensional adsorbent performance evaluation method to obtain a microscopic characterization of the adsorbent, specifically including: Observe the microscopic morphology of the adsorbent before and after the test, analyze the particle state, pore structure and agglomeration phenomenon of the adsorbent, and comprehensively evaluate the structural changes of the adsorbent during the cycle process; Measure the specific surface area, pore volume and average pore size of the adsorbent, and analyze the effect of the pore structure of the adsorbent on the CO2 diffusion and adsorption performance; Analyze the crystal structure of the adsorbent before and after the test, determine the adsorbent composition and the corresponding phase change, and evaluate the crystal structure stability of the adsorbent during the test based on the phase change; The microscopic characterization of the adsorbent is determined based on the above structural changes, impacts and structural stability evaluation results.

[0009] The present invention provides a multi-dimensional adsorbent performance evaluation method, wherein the life cycle evaluation of the adsorbent comprises: According to the microscopic characterization, the adsorbent is simulated at the microscopic scale, mesoscopic scale and macroscopic scale to obtain the simulation results; Based on the performance evaluation setting of the adsorbent, the evaluation target and the corresponding evaluation scope of the life cycle are determined, and in combination with the simulation results, the evaluation target and the evaluation scope, the resource consumption and environmental impact data of the adsorbent throughout its life cycle are collected to obtain the corresponding environmental impact of the adsorbent; Compare the environmental impacts of different adsorbents, identify the main sources of environmental impact, and obtain the corresponding life cycle assessment results of the adsorbents.

[0010] The present invention provides a multi-dimensional adsorbent performance evaluation method, wherein the micro-scale, meso-scale and macro-scale simulation steps include: Based on the structural changes and structural stability evaluation results in the microscopic characterization, the crystal structure model of the adsorbent is constructed, the adsorption mechanism of CO2 molecules on the adsorbent surface is analyzed, the distribution of active sites and adsorption energy are determined, and then the microscopic scale simulation of the adsorbent is carried out; Based on the influence of microscopic characterization, the boundary conditions and initial conditions of gas diffusion are set to perform mesoscopic simulation of the adsorbent; Based on microscopic characterization, determine the performance changes of the adsorbent under different operating conditions and perform macroscopic scale simulation of the adsorbent; The simulation results are obtained by integrating microscale simulation, mesoscale simulation and macroscale simulation.

[0011] The present invention provides a multi-dimensional adsorbent performance evaluation method, and proposes an optimization direction based on the comprehensive evaluation results, including: The evaluation indicators were obtained by integrating the first test results, the second test results, the microscopic characterization, the multi-scale simulation results and the life cycle assessment results; A comprehensive performance evaluation is performed on the adsorbent according to the evaluation index to obtain a comprehensive evaluation result, the main bottleneck of the adsorbent performance is identified from the comprehensive evaluation result, and the optimization direction is determined according to the main bottleneck.

[0012] The present invention provides a multi-dimensional adsorbent performance evaluation method, which performs a comprehensive performance evaluation on the adsorbent according to the evaluation index to obtain a comprehensive evaluation result, including: ,in, represents the comprehensive performance score at time t; represents the fuzzy membership function of the i-th indicator; represents the dynamic weight of the i-th indicator at time t; represents the nonlinear weight function of the i-th indicator; n represents the number of evaluation indicators; i represents the i-th evaluation indicator; a and b are the boundaries of the fuzzy interval; k represents a constant that adjusts the speed at which the weight decays over time; represents the standardized score of the ith indicator at time t.

[0013] Compared with the prior art, the beneficial effects of the present application are as follows: through experimental measurement, the adsorption capacity and cyclic stability of the adsorbent are evaluated, the structural changes are revealed in combination with microscopic characterization, the adsorption mechanism is studied using multi-scale simulation, and the environmental impact is analyzed by life cycle assessment. The performance of the adsorbent is comprehensively evaluated and optimization directions are proposed to achieve efficient and low-cost carbon capture technology, promote the utilization of solid waste resources, provide a systematic evaluation method and promote the development of carbon capture technology.

[0014] Other features and advantages of the present invention will be described in detail in the following description, and some of the contents can be understood by implementing the present invention. The purpose and other advantages of the present invention are clearly shown by the structures and drawings specifically pointed out in the description.

[0015] The technical solution of the present invention is further described in detail below through the accompanying drawings and embodiments. BRIEF DESCRIPTION OF THE DRAWINGS

[0016] The accompanying drawings are used to provide a further understanding of the present invention and constitute a part of the specification. Together with the embodiments of the present invention, they are used to explain the present invention and do not constitute a limitation of the present invention. In the accompanying drawings: Figure 1 It is a schematic flow chart of a multi-dimensional adsorbent performance evaluation method provided by an embodiment of the present invention. DETAILED DESCRIPTION

[0017] The preferred embodiments of the present invention are described below in conjunction with the accompanying drawings. It should be understood that the preferred embodiments described herein are only used to illustrate and explain the present invention, and are not used to limit the present invention.

[0018] Embodiment 1: The present invention provides a multi-dimensional adsorbent performance evaluation method, such as Figure 1 As shown, including: Step 1: Conduct a first test on the adsorbent, record the change in mass of the adsorbent after each cycle, evaluate the adsorption performance of the adsorbent, and obtain the first test result; conduct a second test on the adsorbent to determine the sintering resistance and cycle stability of the adsorbent, and obtain the second test result; Step 2: Observe the microscopic morphological changes, impact conditions and crystal structure of the adsorbent before and after the test to obtain the microscopic characterization of the adsorbent; Step 3: Perform multi-scale simulation on the adsorbent according to the microscopic characterization, perform life cycle assessment on the adsorbent based on the simulation results, and obtain life cycle assessment results; Step 4: Comprehensively evaluate the performance of the adsorbent by integrating the first test results, the second test results, the microscopic characterization, the multi-scale simulation results, and the life cycle assessment results, and propose optimization directions based on the comprehensive evaluation results.

[0019] In this embodiment, the first test is to conduct multiple adsorption-desorption cycle experiments on the adsorbent to evaluate the quality of its adsorption performance. For example, the adsorbent is loaded into a fixed bed reactor, and CO2 adsorption and desorption are repeated. After each cycle, the mass of the adsorbent is weighed to calculate the adsorption amount and carbon conversion rate.

[0020] In this embodiment, a certain amount of carbide slag and fly ash are weighed, poured into an agate mortar and ground evenly, poured into an electric vibrating screen machine, sieved to a particle size of less than 200 mesh, and then placed in a dry and clean beaker. The treated carbide slag and fly ash and Al2O3 and SiO2 powders are dried in a blast drying oven at 120°C, left to stand for 12 hours, and then taken out to prepare an undoped modified adsorbent: the carbide slag is placed in an 850°C tubular furnace under air atmosphere and calcined for 2 hours, named CS.

[0021] In this embodiment, the mass change of the adsorbent is the increase in mass of the adsorbent during the adsorption process and the decrease in mass during the desorption process. For example, the mass of the adsorbent before adsorption is 10 grams, and the mass after adsorption is 10.5 grams, and the mass change is 0.5 grams.

[0022] In this embodiment, the cycle stability is the ability of the adsorbent to maintain adsorption performance after multiple adsorption-desorption cycles. For example, if the adsorption amount of the adsorbent decreases by less than 10% after 10 cycles, the cycle stability is good.

[0023] In this embodiment, the second test is to subject the adsorbent to multiple adsorption-desorption cycles, observe its performance decay, and evaluate its anti-sintering ability. For example, based on the first test, the number of cycles is increased, and combined with microscopic observation, the agglomeration and sintering of the adsorbent particles are analyzed.

[0024] In this embodiment, the anti-sintering ability refers to the ability of the adsorbent to resist particle sintering and agglomeration. For example, after the adsorbent has been cycled for many times, the particles still maintain good dispersion and there is no obvious sintering phenomenon, which means that the anti-sintering ability is strong.

[0025] In this embodiment, the influence is the effect of the pore structure parameters of the adsorbent on its CO2 adsorption and diffusion properties. For example, a larger specific surface area and a moderate pore size are conducive to the adsorption and diffusion of CO2, thereby improving the adsorption performance.

[0026] In this embodiment, the crystal structure is the crystal structure type of the adsorbent material, such as cubic crystal system, hexagonal crystal system, etc., as well as information such as unit cell parameters. For example, the adsorbent has a cubic crystal structure, and the unit cell parameters are a=b=c=5Å.

[0027] In this embodiment, the microscopic characterization is a comprehensive description and analysis result of the microstructural characteristics of the adsorbent material (including morphology, particle state, pore structure, crystal structure, etc.). For example, the adsorbent has a rich mesoporous structure, a large specific surface area, uniform particle size, a stable crystal structure, and exhibits good stability during cyclic use.

[0028] In this embodiment, the structural changes (particle state, pore structure, agglomeration and phase change) of the adsorbent during the CO2 adsorption cycle are evaluated from multiple angles through microscopic morphology observation, specific surface area pore size analysis and crystal structure characterization. By analyzing the impact of structural changes on the adsorption performance, the microscopic characterization and structural stability of the adsorbent are finally determined.

[0029] In this embodiment, the multi-scale simulation is to construct simulation models at the microscopic (crystal structure, adsorption mechanism), mesoscopic (gas diffusion) and macroscopic (overall performance) scales based on the microscopic characterization results (structure, stability, performance changes) of the adsorbent, and predict the performance of the adsorbent under different conditions through simulation calculations, and finally obtain the simulation results comprehensively.

[0030] In this embodiment, the life cycle assessment result is a comprehensive assessment result of the environmental impact of the entire life cycle of the adsorbent, which is usually presented in the form of a report, including environmental impact indicators, main sources of environmental impact and improvement suggestions. For example, the life cycle assessment report points out that the carbon footprint of adsorbent A is lower than that of adsorbent B, mainly because the production process of adsorbent A is more energy-saving and environmentally friendly.

[0031] In this embodiment, based on the microscopic characterization results of the adsorbent, a multi-scale simulation model is constructed to predict its performance and combined with the full life cycle assessment method, resource consumption and environmental impact data are collected, the environmental impact of different adsorbents is quantitatively evaluated, and finally the main sources of environmental impact and life cycle assessment results are determined.

[0032] In this embodiment, the comprehensive performance evaluation is to comprehensively consider multiple evaluation indicators and conduct a comprehensive performance evaluation of the adsorbent. This may require the use of a weighted average method, a hierarchical analysis method, or other multi-indicator comprehensive evaluation methods, for example, assigning different weights according to the importance of each indicator, and then calculating the weighted average score to finally obtain a comprehensive performance score.

[0033] In this embodiment, the comprehensive evaluation result is the final result of the comprehensive performance evaluation of the adsorbent, which is usually a numerical value or grade, reflecting the overall performance level of the adsorbent. For example, the comprehensive performance score of adsorbent A is 85 points, and the comprehensive performance score of adsorbent B is 70 points.

[0034] In this embodiment, the optimization direction is the improvement direction proposed based on the analysis of the main bottleneck of the adsorbent performance. For example, if the main bottleneck is poor cycle stability, the optimization direction can be: improving the material formula of the adsorbent to improve its anti-sintering ability; optimizing the adsorption / desorption operating conditions to slow down the structural degradation of the material; or developing new adsorbent materials. If the main bottleneck is the slow adsorption rate, the optimization direction can be: reducing the adsorbent particle size to increase the specific surface area; optimizing the pore structure of the adsorbent to reduce the diffusion resistance.

[0035] In this embodiment, the experimental results (first and second tests), microscopic characterization, multi-scale simulation results and life cycle assessment results are comprehensively analyzed to construct a set of comprehensive performance evaluation index system, comprehensively evaluate the adsorbent, identify performance bottlenecks, and determine the optimization direction accordingly.

[0036] In this embodiment, conventional indicators of life cycle assessment include: resource consumption, environmental impact, technical performance related indicators, etc.

[0037] Resource consumption is related to energy consumption (fossil fuels, electricity), water consumption, and the amount of raw materials (e.g., activated carbon, metal oxides); Environmental impacts are related to global warming potential (GWP, expressed in CO2 equivalent), acidification potential (AP), eutrophication potential (EP), human toxicity (HTP), etc.; Technical performance-related indicators are related to adsorbent life (number of regenerations), adsorption capacity decay rate, energy efficiency (such as energy consumption per unit CO adsorption), etc.

[0038] The working principle and beneficial effects of the above technical solution are: to evaluate the adsorption performance and cyclic stability of the adsorbent through experimental tests, to reveal its structural changes through microscopic characterization, to study the adsorption mechanism through multi-scale simulation, to conduct life cycle assessment to analyze the environmental impact, to comprehensively evaluate the adsorbent performance and propose optimization directions, to achieve efficient and low-cost carbon capture technology, to promote the utilization of solid waste resources, to provide a systematic evaluation method and to promote the development of carbon capture technology.

[0039] Embodiment 2: The embodiment of the present invention provides a multi-dimensional adsorbent performance evaluation method, wherein the first test includes: using a fixed bed adsorption reaction device to perform a first test of the adsorbent, recording the adsorbent mass change after each first test, calculating the adsorption amount and the carbon conversion rate, and drawing an adsorption-desorption reaction curve according to the adsorption amount and the carbon conversion rate, evaluating multiple adsorption performances of the adsorbent, and obtaining the first test results; The second test includes observing the performance decay of the adsorbent during multiple adsorption and desorption processes, combining the adsorption and desorption curves with the microscopic characterization, evaluating the adsorbent's anti-sintering ability, and obtaining the second test results.

[0040] In this embodiment, the first test is implemented based on a fixed bed reactor system, which is a chemical reactor. The reactants flow in from the top of the reactor bed, and the adsorbent is filled in the reactor to form a fixed bed. The reactants and the adsorbent react or adsorb during the flow process. For example, a vertically placed cylindrical container is filled with adsorbent particles, and CO2 gas flows in from the top and flows out from the bottom.

[0041] In this embodiment, the adsorption amount is the mass of CO2 adsorbed per unit mass of the adsorbent. For example, 1 gram of the adsorbent adsorbs 0.2 grams of CO2, and the adsorption amount is 0.2 g / g.

[0042] In this embodiment, the carbon conversion rate is the efficiency of the adsorbent in adsorbing CO2, which is usually expressed as the percentage of the adsorbed CO2 to the total amount of CO2 entering the reactor. For example, 10 grams of CO2 enters the reactor, the adsorbent adsorbs 2 grams of CO2, and the carbon conversion rate is 20%.

[0043] In this embodiment, the cyclic test adsorption-desorption curve is a curve chart with the number of cycles as the horizontal axis and the adsorption amount or carbon conversion rate as the vertical axis, reflecting the performance changes of the adsorbent during the cyclic use process, for example, a curve chart in which the adsorption amount gradually decreases with the increase of the number of cycles.

[0044] In this embodiment, the first test result is an evaluation result of the adsorption performance, which generally includes an adsorption-desorption reaction curve, an adsorption rate variation trend, and an adsorption performance evaluation.

[0045] In this embodiment, the performance decay refers to the degree to which the adsorption performance of the adsorbent decreases after multiple cycles. For example, after 50 cycles, the adsorption amount of the adsorbent decreases by 50%.

[0046] In this embodiment, the second test result is an evaluation result of the anti-sintering ability of the adsorbent, which generally includes performance attenuation, particle morphology change and anti-sintering ability evaluation.

[0047] The working principle and beneficial effects of the above technical solution are: to conduct cyclic adsorption and desorption tests on the adsorbent through a fixed bed adsorption reaction device, record the mass change and calculate the adsorption amount and carbon conversion rate, draw the adsorption and desorption curve and evaluate the adsorption performance; observe the performance decay through multiple adsorption and desorption tests, combine the curves, evaluate the anti-sintering ability, comprehensively analyze the performance of the adsorbent, improve the adsorbent performance, optimize the preparation process, and promote the development of carbon capture technology.

[0048] Embodiment 3: The embodiment of the present invention provides a multi-dimensional adsorbent performance evaluation method, wherein the step of evaluating the multiple adsorption performance of the adsorbent comprises: Based on the cyclic test adsorption and desorption reaction curve, the changing trends of the adsorption amount and carbon conversion rate with the number of cycles were observed. Combining the changing trends with the decay rate of the curve, the multiple adsorption performance of the adsorbent was evaluated to obtain the first test result.

[0049] In this embodiment, the change trend refers to the pattern of change in the adsorption amount and the carbon conversion rate as the number of cycles increases, which describes whether these parameters increase, decrease or remain stable, as well as the speed and magnitude of the change. For example, a linear decline means that the adsorption amount or the carbon conversion rate decreases linearly with the increase in the number of cycles; an exponential decline means that the adsorption amount or the carbon conversion rate decreases rapidly in the initial stage, and then the rate of decline gradually slows down; a fluctuating decline means that the adsorption amount or the carbon conversion rate fluctuates during the decline, sometimes decreasing rapidly and sometimes decreasing slowly; and basically stable means that the adsorption amount or the carbon conversion rate remains basically stable after multiple cycles, with very little change.

[0050] The working principle and beneficial effects of the above technical solution are: observing the changing trends of adsorption amount and carbon conversion rate with the number of cycles through the adsorption-desorption reaction curve, evaluating the adsorption performance of the adsorbent in combination with the attenuation rate, and obtaining the first test results, providing data support for optimizing the adsorbent performance, intuitively reflecting the performance attenuation, and promoting the development of carbon capture technology.

[0051] Embodiment 4: The embodiment of the present invention provides a multi-dimensional adsorbent performance evaluation method to obtain a microscopic characterization of the adsorbent, specifically including: Observe the microscopic morphology of the adsorbent before and after the test, analyze the particle state, pore structure and agglomeration phenomenon of the adsorbent, and comprehensively evaluate the structural changes of the adsorbent during the cycle process; Measure the specific surface area, pore volume and average pore size of the adsorbent, and analyze the effect of the pore structure of the adsorbent on the CO2 diffusion and adsorption performance; Analyze the crystal structure of the adsorbent before and after the test, determine the adsorbent composition and the corresponding phase change, and evaluate the crystal structure stability of the adsorbent during the test based on the phase change; The microscopic characterization of the adsorbent is determined based on the above structural changes, impacts and structural stability evaluation results.

[0052] In this embodiment, the microscopic morphology refers to the microscopic characteristics of the adsorbent material, such as the surface morphology, particle size and shape, observed using a microscope (such as SEM, TEM). For example, the SEM image shows that the adsorbent particles are irregular in shape, with a rough surface and a large number of pores.

[0053] In this embodiment, the particle state refers to the size, shape, size distribution and other characteristics of the adsorbent particles. For example, the diameter of the adsorbent particles is mainly distributed between 10 and 50 microns and the shape is irregular.

[0054] In this embodiment, the pore structure refers to the size, shape, distribution and other characteristics of the pores inside the adsorbent material, and generally includes parameters such as pore size distribution, pore volume and specific surface area. For example, the adsorbent has a rich mesoporous structure with an average pore size of 10 nm and a pore volume of 0.5 cm³ / g.

[0055] In this embodiment, the agglomeration phenomenon is that the adsorbent particles adhere to each other to form larger aggregates. For example, after recycling, some adsorbent particles agglomerate to form larger particle clusters.

[0056] In this embodiment, the structural changes refer to the changes in the particle state, pore structure and agglomeration phenomenon of the adsorbent during use. For example, after recycling, the specific surface area of ​​the adsorbent decreases by 20%, the average pore size increases, and obvious agglomeration occurs.

[0057] In this embodiment, the specific surface area is the surface area per unit mass of the adsorbent material, reflecting the porosity and adsorption capacity of the adsorbent material. For example, the specific surface area of ​​the adsorbent is 200 m2 / g.

[0058] In this embodiment, the pore volume is the total volume of the pores inside the adsorbent material per unit mass, reflecting the gas storage capacity of the adsorbent. For example, the pore volume of the adsorbent is 0.6 cm³ / g.

[0059] In this embodiment, the average pore size is the average diameter of the pores of the adsorbent material, for example, the average pore size of the adsorbent is 15 nm.

[0060] In this embodiment, the adsorption performance is the ability of the adsorbent to adsorb CO2, which is usually expressed by indicators such as adsorption amount and adsorption rate. For example, the CO2 adsorption amount of the adsorbent under specific conditions is 1.5 mmol / g.

[0061] In this embodiment, the phase change condition refers to whether the crystal structure or physical phase of the adsorbent changes during use. For example, the adsorbent undergoes a crystal transformation at high temperature, from the α phase to the β phase.

[0062] In this embodiment, the structural stability evaluation result is an evaluation conclusion on the stability of the crystal structure of the adsorbent during the cyclic use. For example, the crystal structure of the adsorbent is relatively stable during the cyclic use and no obvious phase change occurs.

[0063] The working principle and beneficial effects of the above technical solution are: through microscopic morphology observation, specific surface area pore size analysis and crystal structure characterization, the structural changes of the adsorbent during the CO2 adsorption cycle (particle state, pore structure, agglomeration and phase change) are evaluated from multiple angles. By analyzing the influence of structural changes on adsorption performance, the microscopic characterization and structural stability of the adsorbent are finally determined, the adsorption mechanism of the adsorbent is understood, the preparation method and recycling strategy of the adsorbent are optimized, and the CO2 capture efficiency and the service life of the adsorbent are improved.

[0064] Embodiment 5: The embodiment of the present invention provides a multi-dimensional adsorbent performance evaluation method, wherein the life cycle evaluation of the adsorbent includes: According to the microscopic characterization, the adsorbent is simulated at the microscopic scale, mesoscopic scale and macroscopic scale to obtain the simulation results; Based on the performance evaluation setting of the adsorbent, the evaluation target and the corresponding evaluation scope of the life cycle are determined, and in combination with the simulation results, the evaluation target and the evaluation scope, the resource consumption and environmental impact data of the adsorbent throughout its life cycle are collected to obtain the corresponding environmental impact of the adsorbent; Compare the environmental impacts of different adsorbents, identify the main sources of environmental impact, and obtain the corresponding life cycle assessment results of the adsorbents.

[0065] In this example, the main sources of environmental impact are identified and quantified, and converted into comparable environmental impact indicators in combination with standardized methods, and finally the life cycle assessment results of the adsorbent are obtained.

[0066] Quantify the main sources of environmental impact and determine their contribution to the environment: For example: CO2 → Global Warming Potential (GWP), SO2 → Acidification Potential (AP) NO X → Eutrophication Potential (EP), heavy metals (such as Ni) → Human Toxicity Potential (HTP).

[0067] Quantitative processing: For example: 1 kg CO2 emission → GWP = 1 kg CO2 equivalent; 1 kg SO2 emitted → AP = 1.2 kg SO2 equivalent.

[0068] Compare each environmental impact value with a baseline value (such as global per capita annual emissions) to eliminate dimensional differences: For example, GWP results: The carbon footprint of adsorbent A is 1000 kg CO2 equivalent, accounting for 20% of the global per capita annual emissions (about 5 tons).

[0069] Weights are assigned to different environmental impact categories based on social preferences (e.g. carbon priority): For example, GWP weight = 50%, HTP weight = 30%, AP weight = 20% → Comprehensive score = (GWP×0.5) +(HTP×0.3) + (AP×0.2) .

[0070] Through contribution analysis, we can identify the contribution of each life cycle stage or substance to the total impact: For example, in the GWP of adsorbent A, raw material production accounts for 70% (energy consumption for alumina preparation) and the use stage accounts for 30% (energy consumption for regeneration).

[0071] In this embodiment, the microscopic scale focuses on the atomic or molecular level of the adsorbent material, such as the adsorption behavior of a single molecule, the distribution of active sites, etc. For example, first-principles calculations or molecular dynamics simulations are used to study the adsorption energy and adsorption sites of CO2 molecules on the surface of the adsorbent material.

[0072] In this embodiment, the mesoscopic scale focuses on the scale between the microscopic and macroscopic scales, such as CO2 diffusion and mass transfer processes at the pore scale.

[0073] In this embodiment, the macroscopic scale focuses on the performance of the entire adsorption bed, such as adsorption amount, adsorption rate, pressure drop, etc. For example, a fixed bed reactor model is used to simulate the entire adsorption process and predict the macroscopic performance of the adsorbent.

[0074] In this embodiment, the assessment target and the corresponding assessment scope are life cycle assessments. The target to be assessed and the assessment scope (such as time range, geographical range, and functional range) corresponding to the target need to be set in advance. For example, the assessment target is to assess the carbon footprint of CO2 capture of different adsorbents throughout the life cycle. Assessment scope: the entire life cycle from raw material mining to final disposal, and the geographical scope is limited to China.

[0075] In this embodiment, the resource consumption and environmental impact data are data related to resource consumption (such as energy consumption, water consumption, raw material consumption) and environmental impact (such as greenhouse gas emissions, waste generation, land occupation) collected throughout the entire life cycle of the adsorbent, for example, energy consumption in raw material mining, greenhouse gas emissions in the adsorbent production process, fuel consumption in the adsorbent transportation process, and the disposal cost of the adsorbent after it is discarded.

[0076] In this embodiment, the environmental impact is the sum of various impacts caused by the adsorbent on the environment during its entire life cycle, and is usually measured by multiple indicators, such as carbon footprint, water footprint, ecotoxicity, etc. For example, the carbon footprint of the adsorbent throughout its life cycle is 100kgCO2e / t adsorbent.

[0077] In this embodiment, the main source of environmental impact is the link or process that contributes the most to the environmental impact during the entire life cycle of the adsorbent. For example, energy consumption in the adsorbent production process is the main source of environmental impact, accounting for 60% of the total carbon footprint.

[0078] In this embodiment, the performance evaluation setting refers to the systematic definition and quantitative requirements for the core performance indicators of the adsorbent, which generally include the following: Technical performance indicators: Adsorption performance: adsorption capacity (CO adsorption per unit mass of adsorbent), selectivity (separation efficiency of CO and other gases), and adsorption rate.

[0079] Stability: number of regenerations (recyclability), adsorption capacity decay rate, mechanical strength (wear resistance).

[0080] Operating conditions: optimal temperature, pressure range, gas flow rate tolerance.

[0081] If the adsorbent design goal is "high cycle stability", the performance evaluation setting needs to be clear: Adsorption capacity decay rate ≤ 5% / 100 cycles; The goals for the entire life cycle are set based on performance evaluation as follows: Technology optimization orientation: If the performance setting emphasizes "high adsorption capacity", the LCA goal may be to "reduce the full life cycle environmental impact of unit CO adsorption".

[0082] If the requirement is set to be “long life (high number of regenerations)”, the LCA goal may be to “reduce resource consumption caused by frequent adsorbent replacement”.

[0083] For example, “Compare the resource consumption of biomass-based and chemical-synthesized adsorbents throughout their life cycle and screen for sustainable raw materials.” The scope of the LCA is defined based on the performance assessment settings as follows: The scope of LCA needs to clearly define the system boundaries, functional units, data sources, etc. Its definition needs to be closely centered around the core indicators set for performance evaluation: Raw material acquisition: mineral mining, chemical synthesis, biomass cultivation (if performance settings require renewability).

[0084] Adsorbent preparation: molding, activation, and doping (if the performance setting focuses on mechanical strength or active sites).

[0085] Usage phase: adsorption-regeneration cycle process (regeneration energy consumption, adsorption efficiency).

[0086] Waste treatment: Adsorbent recovery, landfill or resource recovery (if the performance setting requires harmless rate).

[0087] Elimination phase: Equipment manufacturing (if adsorbent performance is not relevant to the equipment).

[0088] Transport (if assessment shows that transport contributes < 5% of total emissions).

[0089] Functional units are required to quantify the core properties of the adsorbent, such as: "Life cycle impact of adsorbents required to treat 1 ton of CO gas and achieve 95% removal efficiency".

[0090] “Environmental load per 100 regeneration cycles while maintaining adsorption capacity ≥ 90% of initial value”.

[0091] Experimental data: adsorption capacity, number of regenerations, energy consumption (must be consistent with the indicators in the performance settings).

[0092] Simulation data: Adsorption energy → regeneration temperature → energy consumption relationship output by the multiscale model.

[0093] Database supplement: Raw material production emission data from the Ecoinvent database.

[0094] The working principle and beneficial effects of the above technical solution are: based on the microscopic characterization results of the adsorbent, a multi-scale simulation model is constructed to predict its performance and combine it with the full life cycle assessment method to collect resource consumption and environmental impact data, quantitatively evaluate the environmental impact of different adsorbents, and finally determine the main sources of environmental impact and life cycle assessment results, provide a scientific basis for the design, optimization and selection of adsorbents, promote the research and development and application of environmentally friendly adsorbents, reduce the full life cycle environmental load of CO2 capture technology, and achieve sustainable development.

[0095] Embodiment 6: The embodiment of the present invention provides a multi-dimensional adsorbent performance evaluation method, wherein the micro-scale, meso-scale and macro-scale simulation steps include: Based on the structural changes and structural stability evaluation results in the microscopic characterization, the crystal structure model of the adsorbent is constructed, the adsorption mechanism of CO2 molecules on the adsorbent surface is analyzed, the distribution of active sites and adsorption energy are determined, and then the microscopic scale simulation of the adsorbent is carried out; Based on the influence of microscopic characterization, the boundary conditions and initial conditions of gas diffusion are set to perform mesoscopic simulation of the adsorbent; Based on microscopic characterization, determine the performance changes of the adsorbent under different operating conditions and perform macroscopic scale simulation of the adsorbent; The simulation results are obtained by integrating microscale simulation, mesoscale simulation and macroscale simulation.

[0096] In this embodiment, the crystal structure model is a computer model constructed based on the crystal structure information of the adsorbent (such as unit cell parameters, atomic coordinates, etc.), and is used to simulate the interaction between CO2 molecules and the adsorbent material. For example, the crystal structure model of the metal-organic framework material is constructed using known crystal structure data, such as in Materials Studio software.

[0097] In this embodiment, structural changes and structural stability refer to changes in the crystal structure, pore structure, etc. and the structural stability of the adsorbent during use (for example, during adsorption and desorption cycles). For example, when the adsorbent is used at high temperatures, part of the crystal structure collapses and the pore structure changes, resulting in a decrease in structural stability.

[0098] In this embodiment, the adsorption mechanism is the specific way and force of the adsorption of CO2 molecules on the adsorbent surface, such as physical adsorption, chemical adsorption, etc. For example, the CO2 molecules are adsorbed by the interaction with the metal ions in the MOF material through electrostatic forces (physical adsorption), or chemically bonded with the active sites in the material (chemical adsorption).

[0099] In this embodiment, the distribution of active sites and the adsorption energy are the spatial distribution of sites (active sites) in the adsorbent material that can interact strongly with CO2 molecules, and the adsorption energy of CO2 molecules on these sites. For example, the open metal sites in the MOF material are the main active sites, and the adsorption energy of CO2 molecules on these sites is -40 kJ / mol.

[0100] In this embodiment, the influence is the effect of the pore structure, particle size, surface properties, etc. of the adsorbent on the CO2 adsorption and diffusion performance. For example, a larger specific surface area and a smaller pore size are conducive to increasing the CO2 adsorption amount; a larger particle size may lead to an increase in the CO2 diffusion resistance.

[0101] In this embodiment, the boundary conditions and initial conditions are in the mesoscopic scale simulation, and the boundary conditions (such as the concentration and pressure of the gas inlet and outlet) and initial conditions (such as the initial state of the adsorbent, etc.) of gas diffusion need to be set. For example, the CO2 gas inlet concentration is set to 10%, the outlet pressure is set to 1atm, and the initial temperature of the adsorbent is set to 25°C.

[0102] In this embodiment, the performance change refers to the change in the adsorption performance of the adsorbent under different operating conditions (such as temperature, pressure, CO2 concentration, etc.), such as the change in adsorption amount, adsorption rate, etc. For example, as the temperature increases, the CO2 adsorption amount of the adsorbent decreases; as the pressure increases, the adsorption amount increases.

[0103] In this embodiment, the method for simulating based on active sites and adsorption energy is to use quantum mechanics methods (such as density functional theory, DFT) or molecular dynamics (MD) simulation, as follows: The adsorption energy of CO molecules at different active sites on the adsorbent surface was calculated by DFT to determine the optimal adsorption configuration.

[0104] The electronic structure (e.g., charge transfer, orbital hybridization) was analyzed to elucidate the adsorption mechanism.

[0105] Evaluate crystal structure stability (e.g., effects of defects and doping on adsorption performance).

[0106] Output parameters: active site distribution, adsorption energy, electronic state density (DOS), etc.

[0107] In this embodiment, the method for simulating gas diffusion based on boundary conditions is to use a lattice Boltzmann method (LBM) or a pore scale model in computational fluid dynamics (CFD), as follows: Construct a three-dimensional model of porous media based on its microstructure (e.g., pore volume, specific surface area).

[0108] The diffusion dynamics of CO molecules in the pores were simulated and the effective diffusion coefficient was calculated.

[0109] Study the effects of pore connectivity and pore size distribution on mass transfer efficiency.

[0110] Boundary conditions: inlet concentration gradient, pressure field, temperature field (derived from macroscopic operating conditions).

[0111] In this embodiment, the method used for macro-scale simulation is: using a continuous medium model (such as the mass-energy conservation equation) or finite element analysis (FEA), as follows: A macroscopic mass transfer-reaction model of the adsorption bed was established to predict the dynamic adsorption capacity and carbon conversion rate.

[0112] Analyze the effects of temperature, pressure and flow rate on adsorption efficiency.

[0113] Optimize adsorption tower design (e.g. bed height, cycle time).

[0114] Input parameters: microscopic adsorption energy (for kinetic equations), mesoscopic diffusion coefficient (for mass transfer equations).

[0115] The working principle and beneficial effects of the above technical solution are: based on the microscopic characterization results (structure, stability, performance changes) of the adsorbent, simulation models at the microscopic (crystal structure, adsorption mechanism), mesoscopic (gas diffusion) and macroscopic (overall performance) scales are constructed respectively, and the performance of the adsorbent under different conditions is predicted through simulation calculations. Finally, the simulation results are comprehensively obtained to deeply understand the CO2 adsorption mechanism, predict the adsorbent performance, guide the optimal design of the adsorbent, and improve the CO2 capture efficiency and selectivity.

[0116] Embodiment 7: The embodiment of the present invention provides a multi-dimensional adsorbent performance evaluation method, wherein the comprehensive evaluation step comprises: The evaluation indicators were obtained by integrating the first test results, the second test results, the microscopic characterization, the multi-scale simulation results and the life cycle assessment results; A comprehensive performance evaluation of the adsorbent is performed according to the evaluation index to obtain a comprehensive evaluation result, the main bottleneck of the adsorbent performance is identified from the comprehensive evaluation result, and the optimization direction is determined according to the main bottleneck.

[0117] In this embodiment, the evaluation index is an index used to evaluate the performance of the adsorbent, which may include multiple aspects, such as adsorption amount (the amount of CO2 adsorbed per unit mass of the adsorbent), carbon conversion rate (the percentage of adsorbed CO2 to the total amount of CO2 entering the reactor), cycle stability (the degree to which the adsorbent retains its performance after multiple cycles), sintering resistance (the ability of the adsorbent to resist particle sintering and agglomeration), specific surface area, average pore size, adsorption rate, and life cycle assessment indicators (such as carbon footprint, energy consumption, etc.).

[0118] In this example, the main bottleneck is the key factor that restricts the improvement of the adsorbent performance. By analyzing the comprehensive evaluation results, the main limiting factors affecting the adsorbent performance can be found. For example, the main bottleneck of the adsorbent is poor cycle stability, and the adsorption amount decreases significantly after multiple cycles; or the adsorption rate is slow, resulting in low overall capture efficiency.

[0119] The working principle and beneficial effects of the above technical solution are: comprehensively analyze the experimental results (the first and second experiments), microscopic characterization, multi-scale simulation results and life cycle assessment results, construct a set of comprehensive performance evaluation index system, comprehensively evaluate the adsorbent, identify performance bottlenecks, and determine the optimization direction based on this, so as to achieve the improvement of adsorbent performance, provide a comprehensive and objective adsorbent performance evaluation, accurately identify performance bottlenecks, and provide a clear direction for the improvement and optimization of adsorbents.

[0120] Embodiment 8: The embodiment of the present invention provides a multi-dimensional adsorbent performance evaluation method, which performs a comprehensive performance evaluation on the adsorbent according to the evaluation index to obtain a comprehensive evaluation result, including: ,in, represents the comprehensive performance score at time t; represents the fuzzy membership function of the i-th indicator; represents the dynamic weight of the i-th indicator at time t; represents the nonlinear weight function of the i-th indicator; n represents the number of evaluation indicators; i represents the i-th evaluation indicator; a and b are the boundaries of the fuzzy interval; k represents a constant that adjusts the speed at which the weight decays over time; represents the standardized score of the ith indicator at time t.

[0121] The working principle and beneficial effects of the above technical solution are: using fuzzy mathematics methods, combining the dynamic weights and nonlinear weight functions of multiple evaluation indicators, calculating the score of each indicator through fuzzy membership functions, and finally obtaining a comprehensive performance score by weighted summation. This score reflects the dynamic changes in adsorbent performance over time, effectively reflects the performance change trend over time, and provides a more accurate basis for the optimal design and life prediction of adsorbents, thereby improving CO2 capture efficiency.

[0122] Finally, it should be noted that the above embodiments are only used to illustrate the technical solutions of the present invention, rather than to limit it. Although the present invention has been described in detail with reference to the aforementioned embodiments, those skilled in the art should understand that they can still modify the technical solutions described in the aforementioned embodiments, or make equivalent replacements for some of the technical features therein. However, these modifications or replacements do not deviate the essence of the corresponding technical solutions from the spirit and scope of the technical solutions of the embodiments of the present invention.

Claims

1. A multi-dimensional adsorbent performance evaluation method, characterized in that: include: Step 1: Conduct a first test on the adsorbent, record the change in mass of the adsorbent after each cycle, evaluate the adsorption performance of the adsorbent, and obtain the first test result; conduct a second test on the adsorbent to determine the anti-sintering ability and cycle stability of the adsorbent, and obtain the second test result; Step 2: Observe the microscopic morphological changes, impact conditions and crystal structure of the adsorbent before and after the test to obtain the microscopic characterization of the adsorbent; Step 3: Perform multi-scale simulation on the adsorbent according to the microscopic characterization, perform life cycle assessment on the adsorbent based on the simulation results, and obtain life cycle assessment results; Step 4: Comprehensively evaluate the performance of the adsorbent by integrating the first test results, the second test results, the microscopic characterization, the multi-scale simulation results, and the life cycle assessment results, and propose optimization directions based on the comprehensive evaluation results.

2. A multi-dimensional adsorbent performance evaluation method according to claim 1, characterized in that: The first test includes using a fixed bed adsorption reaction device to conduct a first test of the adsorbent, recording the mass change of the adsorbent after each first test, calculating the adsorption amount and the carbon conversion rate, and drawing an adsorption-desorption reaction curve according to the adsorption amount and the carbon conversion rate, evaluating multiple adsorption performances of the adsorbent, and obtaining the first test results; The second test includes observing the performance decay of the adsorbent during multiple adsorption and desorption processes, combining the adsorption and desorption curves with the microscopic characterization, evaluating the adsorbent's anti-sintering ability, and obtaining the second test results.

3. A multi-dimensional adsorbent performance evaluation method according to claim 2, characterized in that: The step of evaluating the multiple adsorption performance of the adsorbent comprises: Based on the cyclic test adsorption and desorption reaction curve, the changing trends of the adsorption amount and carbon conversion rate with the number of cycles were observed. Combining the changing trends with the decay rate of the curve, the multiple adsorption performance of the adsorbent was evaluated to obtain the first test result.

4. A multi-dimensional adsorbent performance evaluation method according to claim 1, characterized in that: The microscopic characterization of the adsorbent was obtained, including: Observe the microscopic morphology of the adsorbent before and after the test, analyze the particle state, pore structure and agglomeration phenomenon of the adsorbent, and comprehensively evaluate the structural changes of the adsorbent during the cycle process; Measure the specific surface area, pore volume and average pore size of the adsorbent, and analyze the effect of the pore structure of the adsorbent on the CO2 diffusion and adsorption performance; Analyze the crystal structure of the adsorbent before and after the test, determine the adsorbent composition and the corresponding phase change, and evaluate the crystal structure stability of the adsorbent during the test based on the phase change; The microscopic characterization of the adsorbent is determined based on the above structural changes, impacts and structural stability evaluation results.

5. A multi-dimensional adsorbent performance evaluation method according to claim 1, characterized in that: The life cycle assessment of the adsorbent includes: According to the microscopic characterization, the adsorbent is simulated at the microscopic scale, mesoscopic scale and macroscopic scale to obtain the simulation results; Based on the performance evaluation setting of the adsorbent, the evaluation target and the corresponding evaluation scope of the life cycle are determined, and in combination with the simulation results, the evaluation target and the evaluation scope, the resource consumption and environmental impact data of the adsorbent throughout its life cycle are collected to obtain the corresponding environmental impact of the adsorbent; Compare the environmental impacts of different adsorbents, identify the main sources of environmental impact, and obtain the corresponding life cycle assessment results of the adsorbents.

6. A multi-dimensional adsorbent performance evaluation method according to claim 5, characterized in that: The steps of microscale, mesoscale and macroscale simulations include: Based on the structural changes and structural stability evaluation results in the microscopic characterization, the crystal structure model of the adsorbent is constructed, the adsorption mechanism of CO2 molecules on the adsorbent surface is analyzed, the distribution of active sites and adsorption energy are determined, and then the microscopic scale simulation of the adsorbent is carried out; Based on the influence of microscopic characterization, the boundary conditions and initial conditions of gas diffusion are set to perform mesoscopic simulation of the adsorbent; Based on microscopic characterization, determine the performance changes of the adsorbent under different operating conditions and perform macroscopic scale simulation of the adsorbent; The simulation results are obtained by integrating microscale simulation, mesoscale simulation and macroscale simulation.

7. A multi-dimensional adsorbent performance evaluation method according to claim 1, characterized in that: The comprehensive assessment steps include: The evaluation indicators were obtained by integrating the first test results, the second test results, the microscopic characterization, the multi-scale simulation results and the life cycle assessment results; A comprehensive performance evaluation of the adsorbent is performed according to the evaluation index to obtain a comprehensive evaluation result, the main bottleneck of the adsorbent performance is identified from the comprehensive evaluation result, and the optimization direction is determined according to the main bottleneck.

8. A multi-dimensional adsorbent performance evaluation method according to claim 7, characterized in that: The comprehensive performance of the adsorbent is evaluated according to the evaluation indicators to obtain comprehensive evaluation results, including: ， in, represents the comprehensive performance score at time t; represents the fuzzy membership function of the i-th indicator; represents the dynamic weight of the i-th indicator at time t; represents the nonlinear weight function of the i-th indicator; n represents the number of evaluation indicators; i represents the i-th evaluation indicator; a and b are the boundaries of the fuzzy interval; k represents a constant that adjusts the speed at which the weight decays over time; represents the standardized score of the ith indicator at time t.

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