A multi-dimensional method for evaluating adsorbent performance

Abstract

This invention provides a multi-dimensional adsorbent performance evaluation method, belonging to the field of performance evaluation technology. The method includes: conducting a first experiment on the adsorbent, recording the mass change of the adsorbent after each cycle, evaluating the adsorption performance of the adsorbent, and obtaining the first experimental results; conducting a second experiment on the adsorbent to determine the adsorbent's anti-sintering ability and cycle stability, and obtaining the second experimental results. The microscopic morphological changes, influences, and crystal structure of the adsorbent before and after the experiment are observed to obtain the microscopic characterization of the adsorbent. Based on the microscopic characterization, multi-scale simulation of the adsorbent is performed, and the simulation results are used to conduct a life cycle assessment of the adsorbent, obtaining the life cycle assessment results. A comprehensive performance evaluation of the adsorbent is conducted to propose optimization directions. The aim is to achieve efficient and low-cost carbon capture technology, promote the effective utilization of solid waste resources, and provide a systematic evaluation method to promote the development of carbon capture technology.

Description

Technical Field

[0001] This invention relates to the field of performance evaluation technology, and in particular to a multi-dimensional method for evaluating the performance of adsorbents. Background Technology

[0002] With the rapid development of human society, the large-scale use of fossil fuels has led to a sharp increase in CO2 emissions, causing serious impacts on the global climate and environment. Currently, research on adsorbents mainly focuses on the experimental testing stage, lacking the comprehensive application of multi-scale simulations and life cycle assessments. At the same time, systematic research on calcium-based adsorbents modified from solid waste resources is also relatively lacking.

[0003] Therefore, the present invention provides a multi-dimensional method for evaluating the performance of adsorbents. Summary of the Invention

[0004] This invention provides a multi-dimensional method for evaluating adsorbent performance. It aims to assess the adsorption performance and cycle stability of adsorbents through experimental testing, reveal structural changes through microscopic characterization, study adsorption mechanisms using multi-scale simulation, and analyze the environmental impact of adsorbents through life cycle assessment. This method comprehensively evaluates the overall performance of adsorbents and proposes optimization directions, enabling efficient and low-cost carbon capture technology, promoting the effective utilization of solid waste resources, providing a systematic evaluation method, and driving the development of carbon capture technology.

[0005] This invention provides a multi-dimensional method for evaluating adsorbent performance, comprising:

[0006] Step 1: Conduct a first test on the adsorbent, record the change in adsorbent mass after each cycle, evaluate the adsorption performance of the adsorbent, and obtain the results of the first test; conduct a second test on the adsorbent to determine the adsorbent's anti-sintering ability and cycle stability, and obtain the results of the second test.

[0007] Step 2: Observe the microstructure, effects, and crystal structure of the adsorbent before and after the experiment to obtain the microscopic characterization of the adsorbent.

[0008] Step 3: Perform multi-scale simulations on the adsorbent based on the microscopic characterization, and conduct a life cycle assessment on the adsorbent based on the simulation results to obtain the life cycle assessment results;

[0009] Step 4: Based on the combined results of the first and second experiments, microscopic characterization, multi-scale simulation, and life cycle assessment, conduct a comprehensive performance evaluation of the adsorbent and propose optimization directions based on the comprehensive evaluation results.

[0010] This invention provides a multi-dimensional method for evaluating the performance of adsorbents. The first test includes conducting a first test of the adsorbent using a fixed-bed adsorption reactor, recording the change in adsorbent mass after each first test, calculating the adsorption amount and carbon conversion rate, plotting adsorption-desorption reaction curves based on the adsorption amount and carbon conversion rate, evaluating the adsorption performance of the adsorbent over multiple tests, and obtaining the results of the first test.

[0011] The second experiment includes observing the performance degradation of the adsorbent during multiple adsorption-desorption processes, and evaluating the adsorbent's anti-sintering ability by combining the adsorption-desorption curves and microscopic characterization, thereby obtaining the results of the second experiment.

[0012] This invention provides a multi-dimensional method for evaluating the performance of adsorbents, wherein the steps for evaluating the adsorption performance of an adsorbent over multiple cycles include:

[0013] Based on the adsorption-desorption reaction curves of the cyclic test, the trends of adsorption capacity and carbon conversion rate with the number of cycles were observed. Combining these trends with the decay rate of the curves, the adsorption performance of the adsorbent was evaluated, and the first experimental results were obtained.

[0014] This invention provides a multi-dimensional method for evaluating the performance of adsorbents, yielding a microscopic characterization of the adsorbent, specifically including:

[0015] Observe the microstructure of the adsorbent before and after the experiment, analyze the particle state, pore structure and agglomeration of the adsorbent, and evaluate the structural changes of the adsorbent during the cycling process by combining the particle state, pore structure and agglomeration.

[0016] The specific surface area, pore volume, and average pore size of the adsorbent were measured to analyze the influence of the pore structure of the adsorbent on CO2 diffusion and adsorption performance.

[0017] The crystal structure of the adsorbent before and after the experiment was analyzed to determine the adsorbent composition and the corresponding phase transition. Based on the phase transition, the stability of the crystal structure of the adsorbent during the experiment was evaluated.

[0018] The microscopic characterization of the adsorbent was determined by combining the above structural changes, their impacts, and the results of the structural stability assessment.

[0019] This invention provides a multi-dimensional method for evaluating the performance of adsorbents, wherein the life cycle assessment of the adsorbent includes:

[0020] Based on the microscopic characterization, the adsorbent was simulated at the microscopic, mesoscopic, and macroscopic scales, and the simulation results were obtained.

[0021] Based on the performance evaluation settings of the adsorbent, the evaluation objectives and corresponding evaluation scope for the life cycle are determined. Combined with the simulation results, evaluation objectives and evaluation scope, resource consumption and environmental impact data of the adsorbent throughout its entire life cycle are collected to obtain the corresponding environmental impact of the adsorbent.

[0022] By comparing the environmental impacts of different adsorbents, identifying the main sources of environmental impact, and obtaining the corresponding life cycle assessment results for the adsorbents.

[0023] This invention provides a multi-dimensional method for evaluating adsorbent performance, wherein the steps of microscale, mesoscale, and macroscale simulation include:

[0024] Based on the structural changes and structural stability assessment results in the microscopic characterization, a 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 microscale simulation of the adsorbent is carried out.

[0025] Based on the influence of microscopic characterization, boundary conditions and initial conditions for gas diffusion are set to simulate the adsorbent at the mesoscale.

[0026] Based on microscopic characterization, the performance changes of the adsorbent under different operating conditions are determined, and macroscopic-scale simulation of the adsorbent is carried out.

[0027] The simulation results are obtained by combining microscale simulations, mesoscale simulations, and macroscale simulations.

[0028] This invention provides a multi-dimensional adsorbent performance evaluation method, which proposes optimization directions based on the comprehensive evaluation results, including:

[0029] The evaluation indicators were derived by combining the results of the first experiment, the results of the second experiment, microscopic characterization, multi-scale simulation results, and life cycle assessment results.

[0030] The adsorbent is comprehensively evaluated based on the evaluation indicators to obtain comprehensive evaluation results. The main bottlenecks in the adsorbent performance are identified from the comprehensive evaluation results, and the optimization direction is determined based on the main bottlenecks.

[0031] This invention provides a multi-dimensional adsorbent performance evaluation method, which comprehensively evaluates the adsorbent's performance based on the evaluation indicators to obtain a comprehensive evaluation result, including:

[0032] ,in, The overall performance score at time t; The fuzzy membership function represents the i-th index; This represents the dynamic weight of the i-th indicator at time t; denoted as 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 representing the rate at which the weight decays over time; Let represent the standardized score of the i-th indicator at time t.

[0033] Compared with existing technologies, the beneficial effects of this application are as follows: Through experimental testing, the adsorption capacity and cycle stability of the adsorbent are evaluated; combined with microscopic characterization, its structural changes are revealed; multi-scale simulation is used to study the adsorption mechanism; life cycle assessment is conducted to analyze the environmental impact; the performance of the adsorbent is comprehensively evaluated and optimization directions are proposed; efficient and low-cost carbon capture technology is achieved; solid waste resource utilization is promoted; a systematic evaluation method is provided; and the development of carbon capture technology is promoted.

[0034] Other features and advantages of the invention will be set forth in detail in the following description, and some of these will become apparent by practicing the invention. The objects and other advantages of the invention are clearly demonstrated by the structures and drawings particularly pointed out in the description.

[0035] The technical solution of the present invention will be further described in detail below with reference to the accompanying drawings and embodiments. Attached Figure Description

[0036] The accompanying drawings are provided to further illustrate the invention and form part of the specification. They are used in conjunction with embodiments of the invention to explain the invention and do not constitute a limitation thereof. In the drawings:

[0037] Figure 1 This is a flowchart illustrating a multi-dimensional adsorbent performance evaluation method provided in an embodiment of the present invention. Detailed Implementation

[0038] The preferred embodiments of the present invention will be described below with reference to the accompanying drawings. It should be understood that the preferred embodiments described herein are for illustration and explanation only and are not intended to limit the present invention.

[0039] Example 1:

[0040] This invention provides a multi-dimensional method for evaluating adsorbent performance, such as... Figure 1 As shown, it includes:

[0041] Step 1: Conduct the first test on the adsorbent, record the change in adsorbent mass after each cycle, evaluate the adsorption performance of the adsorbent, and obtain the results of the first test. Conduct the second test on the adsorbent to determine the adsorbent's anti-sintering ability and cycle stability, and obtain the results of the second test.

[0042] Step 2: Observe the changes in the microstructure of the adsorbent before and after the experiment, the effects, and the crystal structure to obtain the microscopic characterization of the adsorbent.

[0043] Step 3: Perform multi-scale simulations on the adsorbent based on the microscopic characterization, and conduct a life cycle assessment on the adsorbent based on the simulation results to obtain the life cycle assessment results;

[0044] Step 4: Based on the combined results of the first and second experiments, microscopic characterization, multi-scale simulation, and life cycle assessment, conduct a comprehensive performance evaluation of the adsorbent and propose optimization directions based on the comprehensive evaluation results.

[0045] In this embodiment, the first experiment is to conduct multiple adsorption-desorption cycle experiments on the adsorbent to evaluate 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 and the adsorption amount and carbon conversion rate are calculated.

[0046] In this embodiment, a certain amount of carbide slag and fly ash were weighed and ground evenly in an agate mortar. The carbide slag and fly ash were then poured into an electric vibrating screen and sieved until the particle size was less than 200 mesh before being placed in a dry and clean beaker. The treated carbide slag, fly ash, Al2O3, and SiO2 powders were dried in a forced-air drying oven at 120°C. After standing for 12 hours, the dried powder was removed to prepare an unmodified adsorbent: the carbide slag was calcined in a tube furnace at 850°C in air atmosphere for 2 hours and named CS.

[0047] In this embodiment, the change in adsorbent mass is the increase in adsorbent mass during adsorption and the decrease in adsorption mass during desorption. For example, if the adsorbent mass is 10 grams before adsorption and 10.5 grams after adsorption, the mass change is 0.5 grams.

[0048] In this embodiment, cycle stability is the ability of the adsorbent to maintain its adsorption performance after multiple adsorption-desorption cycles. For example, if the adsorption amount decreases by less than 10% after 10 cycles, the cycle stability is good.

[0049] In this embodiment, the second experiment involves subjecting the adsorbent to multiple adsorption-desorption cycles, observing its performance degradation, and evaluating its anti-sintering ability. For example, based on the first experiment, the number of cycles is increased, and microscopic observation is combined to analyze the agglomeration and sintering of the adsorbent particles.

[0050] In this embodiment, the anti-sintering ability is the ability of the adsorbent to resist particle sintering and agglomeration. For example, if the adsorbent particles still maintain good dispersion after multiple cycles and there is no obvious sintering phenomenon, then the anti-sintering ability is strong.

[0051] In this embodiment, the influence is the effect of the pore structure parameters of the adsorbent on its CO2 adsorption and diffusion performance. For example, a larger specific surface area and a moderate pore size are beneficial to CO2 adsorption and diffusion, thereby improving the adsorption performance.

[0052] In this embodiment, the crystal structure refers to the crystal structure type of the adsorbent material, such as cubic or hexagonal crystal systems, as well as information such as unit cell parameters. For example, the adsorbent has a cubic crystal system structure with unit cell parameters a=b=c=5Å.

[0053] In this embodiment, microscopic characterization is a comprehensive description and analysis of the microstructural characteristics of the adsorbent material (including morphology, particle state, pore structure, crystal structure, etc.). For example, the adsorbent has abundant mesoporous structure, large specific surface area, uniform particle size, stable crystal structure, and exhibits good stability during recycling.

[0054] In this embodiment, the structural changes (particle state, pore structure, agglomeration and phase transition) of the adsorbent during the CO2 adsorption cycle are evaluated from multiple perspectives through microscopic morphology observation, specific surface area and pore size analysis and crystal structure characterization. By analyzing the influence of structural changes on adsorption performance, the microscopic characterization and structural stability of the adsorbent are finally determined.

[0055] In this embodiment, multi-scale simulation is based on the microscopic characterization results of the adsorbent (structure, stability, performance changes), and simulation models are constructed at the microscopic (crystal structure, adsorption mechanism), mesoscopic (gas diffusion), and macroscopic (overall performance) scales respectively. Through simulation calculations, the performance of the adsorbent under different conditions is predicted, and the simulation results are finally obtained by combining the results.

[0056] In this embodiment, the life cycle assessment result is a comprehensive assessment of the environmental impact of the adsorbent throughout its entire life cycle. It is usually presented in the form of a report, which includes environmental impact indicators, main sources of environmental impact, and improvement recommendations. For example, the life cycle assessment report indicates 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-efficient and environmentally friendly.

[0057] In this embodiment, based on the microscopic characterization results of the adsorbent, a multi-scale simulation model is constructed to predict its performance. Combined with the life cycle assessment method, resource consumption and environmental impact data are collected to quantitatively assess the environmental impact of different adsorbents and finally determine the main sources of environmental impact and the life cycle assessment results.

[0058] In this embodiment, the comprehensive performance evaluation considers multiple evaluation indicators to conduct a comprehensive performance evaluation of the adsorbent. This may require the use of weighted average method, analytic hierarchy process, or other multi-indicator comprehensive evaluation methods. For example, different weights may be assigned to each indicator according to its importance, and then a weighted average score may be calculated to obtain a comprehensive performance score.

[0059] 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 that reflects 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.

[0060] In this embodiment, the optimization direction is based on the analysis of the main bottlenecks in adsorbent performance, and the proposed improvement directions are as follows: If the main bottleneck is poor cycle stability, the optimization direction may be: improving the material formulation of the adsorbent to enhance its anti-sintering ability; optimizing the adsorption / desorption operating conditions to slow down the structural deterioration of the material; or developing new adsorbent materials. If the main bottleneck is slow adsorption rate, the optimization direction may be: reducing the adsorbent particle size to increase the specific surface area; optimizing the pore structure of the adsorbent to reduce diffusion resistance.

[0061] In this embodiment, the experimental results (first and second experiments), microscopic characterization, multi-scale simulation results and life cycle assessment results are comprehensively analyzed to construct a comprehensive performance evaluation index system, conduct a comprehensive evaluation of the adsorbent, identify performance bottlenecks, and determine the optimization direction accordingly.

[0062] In this embodiment, the conventional indicators for life cycle assessment include resource consumption, environmental impact, and technical performance-related indicators.

[0063] Resource consumption is related to energy consumption (fossil fuels, electricity), water consumption, and the amount of raw materials (such as activated carbon and metal oxides) used.

[0064] Environmental impacts are related to global warming potential (GWP, expressed as CO2 equivalent), acidification potential (AP), eutrophication potential (EP), and human toxicity (HTP).

[0065] Technical performance indicators are related to adsorbent lifespan (number of regenerations), adsorption capacity decay rate, and energy efficiency (such as energy consumption per unit CO adsorption).

[0066] The working principle and beneficial effects of the above technical solution are as follows: the adsorption performance and cycle stability of the adsorbent are evaluated through experimental testing, its structural changes are revealed by microscopic characterization, the adsorption mechanism is studied by multi-scale simulation, the environmental impact is analyzed by life cycle assessment, the performance of the adsorbent is comprehensively evaluated and optimization directions are proposed, so as to realize 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.

[0067] Example 2:

[0068] This invention provides a multi-dimensional adsorbent performance evaluation method. The first test includes conducting a first test of the adsorbent using a fixed-bed adsorption reactor, recording the adsorbent mass change after each first test, calculating the adsorption amount and carbon conversion rate, plotting the adsorption-desorption reaction curve based on the adsorption amount and carbon conversion rate, evaluating the adsorption performance of the adsorbent over multiple tests, and obtaining the first test results.

[0069] The second experiment includes observing the performance degradation of the adsorbent during multiple adsorption-desorption processes, and evaluating the adsorbent's anti-sintering ability by combining the adsorption-desorption curves and microscopic characterization, thereby obtaining the results of the second experiment.

[0070] In this embodiment, the first experiment was carried out based on a fixed-bed reactor system, which is a chemical reactor in which reactants flow in from the top of the reactor bed, and adsorbent is filled in the reactor to form a fixed bed. The reactants and adsorbent react or adsorb during the flow. For example, a vertically placed cylindrical container filled with adsorbent particles, CO2 gas flows in from the top and flows out from the bottom.

[0071] In this embodiment, the adsorption capacity is the mass of CO2 adsorbed per unit mass of adsorbent. For example, if 1 gram of adsorbent adsorbs 0.2 grams of CO2, the adsorption capacity is 0.2 g / g.

[0072] In this embodiment, carbon conversion rate is the efficiency of adsorbent adsorption of CO2, which is usually expressed as the percentage of CO2 adsorbed relative to the total amount of CO2 entering the reactor. For example, if 10 grams of CO2 enter the reactor and the adsorbent adsorbs 2 grams of CO2, the carbon conversion rate is 20%.

[0073] In this embodiment, the cyclic adsorption-desorption curve is a graph plotted with the number of cycles on the x-axis and the adsorption amount or carbon conversion rate on the y-axis, reflecting the performance changes of the adsorbent during the cycle. For example, a graph in which the adsorption amount gradually decreases as the number of cycles increases.

[0074] In this embodiment, the first experimental result is an evaluation of the adsorption performance, which typically includes adsorption-desorption reaction curves, adsorption rate change trends, and adsorption performance evaluation.

[0075] In this embodiment, the performance degradation refers to the degree to which the adsorption performance of the adsorbent decreases after multiple cycles. For example, after 50 cycles, the adsorption capacity of the adsorbent decreases by 50%.

[0076] In this embodiment, the second test result is an evaluation of the adsorbent's anti-sintering ability, which typically includes performance degradation, particle morphology changes, and anti-sintering ability evaluation.

[0077] The working principle and beneficial effects of the above technical solution are as follows: A fixed-bed adsorption reaction device is used to conduct cyclic adsorption-desorption tests on the adsorbent, record mass changes, calculate the adsorption amount and carbon conversion rate, plot adsorption-desorption curves, and evaluate adsorption performance; performance decay is observed through multiple adsorption-desorption tests, and the anti-sintering ability is evaluated by combining the curves; the performance of the adsorbent is comprehensively analyzed, the adsorbent performance is improved, the preparation process is optimized, and the development of carbon capture technology is promoted.

[0078] Example 3:

[0079] This invention provides a multi-dimensional method for evaluating the performance of adsorbents, wherein the steps for evaluating the adsorption performance of an adsorbent over multiple cycles include:

[0080] Based on the adsorption-desorption reaction curves of the cyclic test, the trends of adsorption capacity and carbon conversion rate with the number of cycles were observed. Combining these trends with the decay rate of the curves, the adsorption performance of the adsorbent was evaluated, and the first experimental results were obtained.

[0081] In this embodiment, the trend of change refers to the pattern of change in adsorption capacity and carbon conversion rate as the number of cycles increases. It describes whether these parameters increase, decrease, or remain stable, as well as the rate and magnitude of change. For example, linear decrease means that the adsorption capacity or carbon conversion rate decreases linearly with the number of cycles; exponential decrease means that the adsorption capacity or carbon conversion rate decreases rapidly in the initial stage, and then the rate of decrease gradually slows down; fluctuating decrease means that the adsorption capacity or carbon conversion rate fluctuates during the decrease, sometimes decreasing rapidly and sometimes decreasing slowly; basically stable means that the adsorption capacity or carbon conversion rate remains basically stable after multiple cycles, with very little change.

[0082] The working principle and beneficial effects of the above technical solution are as follows: by observing the trend of adsorption amount and carbon conversion rate with the number of cycles through adsorption-desorption reaction curves, the adsorption performance of the adsorbent is evaluated in combination with the decay rate, and the first experimental results are obtained, which provide data support for optimizing the performance of the adsorbent, intuitively reflect the performance decay, and promote the development of carbon capture technology.

[0083] Example 4:

[0084] This invention provides a multi-dimensional method for evaluating the performance of adsorbents, yielding a microscopic characterization of the adsorbent, specifically including:

[0085] Observe the microstructure of the adsorbent before and after the experiment, analyze the particle state, pore structure and agglomeration of the adsorbent, and evaluate the structural changes of the adsorbent during the cycling process by combining the particle state, pore structure and agglomeration.

[0086] The specific surface area, pore volume, and average pore size of the adsorbent were measured to analyze the influence of the pore structure of the adsorbent on CO2 diffusion and adsorption performance.

[0087] The crystal structure of the adsorbent before and after the experiment was analyzed to determine the adsorbent composition and the corresponding phase transition. Based on the phase transition, the stability of the crystal structure of the adsorbent during the experiment was evaluated.

[0088] The microscopic characterization of the adsorbent was determined by combining the above structural changes, their impacts, and the results of the structural stability assessment.

[0089] In this embodiment, micromorphology is the observation of the surface morphology, particle size and shape of the adsorbent material using a microscope (e.g., SEM, TEM). For example, SEM images show that the adsorbent particles are irregular in shape, have a rough surface and contain a large number of pores.

[0090] In this embodiment, the particle state refers to the characteristics of the adsorbent particles, such as size, shape, and size distribution. For example, the diameter of the adsorbent particles is mainly distributed between 10 and 50 micrometers, and the shape is irregular.

[0091] In this embodiment, the pore structure refers to the size, shape, distribution, and other characteristics of the pores inside the adsorbent material. It typically 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.

[0092] In this embodiment, agglomeration is the adhesion between adsorbent particles to form larger aggregates. For example, after recycling, some adsorbent particles agglomerate to form larger particle clusters.

[0093] In this embodiment, structural changes refer to the changes in the particle state, pore structure, and aggregation of the adsorbent during use. For example, after recycling, the specific surface area of ​​the adsorbent decreased by 20%, the average pore size increased, and obvious aggregation occurred.

[0094] In this embodiment, the specific surface area is the surface area per unit mass of 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.

[0095] In this embodiment, pore volume is the total volume of pores inside a unit mass of adsorbent material, reflecting the gas storage capacity of the adsorbent. For example, the pore volume of the adsorbent is 0.6 cm³ / g.

[0096] In this embodiment, the average pore size is the average diameter of the pores in the adsorbent material; for example, the average pore size of the adsorbent is 15 nm.

[0097] In this embodiment, adsorption performance refers to 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.

[0098] In this embodiment, phase change refers to whether the crystal structure or phase of the adsorbent changes during use. For example, the adsorbent undergoes a crystal transformation at high temperature, changing from the α phase to the β phase.

[0099] In this embodiment, the structural stability assessment result is an assessment conclusion of the crystal structure stability of the adsorbent during recycling. For example, the crystal structure of the adsorbent is relatively stable during recycling and no obvious phase transition occurs.

[0100] The working principle and beneficial effects of the above technical solution are as follows: by observing the microstructure, analyzing the specific surface area and pore size, and characterizing the crystal structure, the structural changes (particle state, pore structure, agglomeration and phase transition) of the adsorbent during the CO2 adsorption cycle are evaluated from multiple perspectives. By analyzing the influence of structural changes on adsorption performance, the microstructure 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 adsorbent lifespan are improved.

[0101] Example 5:

[0102] This invention provides a multi-dimensional method for evaluating the performance of adsorbents, wherein the life cycle assessment of the adsorbent includes:

[0103] Based on the microscopic characterization, the adsorbent was simulated at the microscopic, mesoscopic, and macroscopic scales, and the simulation results were obtained.

[0104] Based on the performance evaluation settings of the adsorbent, the evaluation objectives and corresponding evaluation scope for the life cycle are determined. Combined with the simulation results, evaluation objectives and evaluation scope, resource consumption and environmental impact data of the adsorbent throughout its entire life cycle are collected to obtain the corresponding environmental impact of the adsorbent.

[0105] By comparing the environmental impacts of different adsorbents, identifying the main sources of environmental impact, and obtaining the corresponding life cycle assessment results for the adsorbents.

[0106] In this embodiment, by identifying and quantifying the main sources of environmental impact, and combining them with standardized methods to transform them into comparable environmental impact indicators, the life cycle assessment results of the adsorbent are finally obtained.

[0107] Quantify the main sources of environmental impact and determine their contribution to the environment:

[0108] For example: CO2 → Global Warming Potential (GWP), SO2 → Acidification Potential (AP)

[0109] NO x → Eutrophication potential (EP), heavy metals (such as Ni) → Human toxicity potential (HTP).

[0110] Quantification:

[0111] For example: 1 kg CO2 emission → GWP = 1 kg CO2 equivalent;

[0112] Emitting 1 kg SO2 → AP = 1.2 kg SO2 equivalent.

[0113] Compare each environmental impact value with a benchmark value (such as global per capita annual emissions) to eliminate dimensional differences:

[0114] For example, GWP results show that adsorbent A has a carbon footprint of 1000 kg CO2 equivalent, accounting for 20% of global per capita annual emissions (approximately 5 tons).

[0115] Based on social preferences, assign weights to different environmental impact categories (e.g., carbon priority):

[0116] For example, if GWP weight = 50%, HTP weight = 30%, and AP weight = 20%, then the overall score = (GWP × 0.5) + (HTP × 0.3) + (AP × 0.2).

[0117] Contribution analysis identifies the proportion of each life cycle stage or substance's contribution to the total impact:

[0118] 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).

[0119] In this embodiment, the microscale focuses on the atomic or molecular level of the adsorbent material, such as the adsorption behavior of individual molecules, 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.

[0120] In this embodiment, the mesoscale focuses on scales between the micro and macro scales, such as CO2 diffusion and mass transfer processes at the pore scale.

[0121] In this embodiment, the macroscopic scale focuses on the performance of the entire adsorption bed, such as adsorption capacity, adsorption rate, and pressure drop. For example, a fixed-bed reactor model is used to simulate the entire adsorption process and predict the macroscopic performance of the adsorbent.

[0122] In this embodiment, the assessment objective and corresponding assessment scope are aspects of life cycle assessment that require pre-setting the objectives to be assessed and their corresponding assessment scopes (e.g., time range, geographical range, functional range). For example, the assessment objective is to assess the carbon footprint of different adsorbents throughout their CO2 capture life cycle. The assessment scope covers the entire life cycle from raw material extraction to final disposal, with the geographical scope limited to China.

[0123] In this embodiment, the resource consumption and environmental impact data are collected throughout the entire life cycle of the adsorbent, including data related to resource consumption (e.g., energy consumption, water consumption, raw material consumption) and environmental impact (e.g., greenhouse gas emissions, waste generation, land occupation). For example, energy consumption during raw material mining, greenhouse gas emissions during adsorbent production, fuel consumption during adsorbent transportation, and disposal costs after adsorbent disposal.

[0124] In this embodiment, environmental impact is the sum of all the environmental impacts caused by the adsorbent throughout its entire life cycle. It is usually measured by a variety of indicators, such as carbon footprint, water footprint, ecotoxicity, etc. For example, the carbon footprint of the adsorbent throughout its entire life cycle is 100 kg CO2e / t adsorbent.

[0125] In this embodiment, the main sources of environmental impact are the links or processes that contribute the most to the environmental impact throughout 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.

[0126] In this embodiment, performance evaluation settings refer to the systematic definition and quantification requirements for the core performance indicators of the adsorbent, which typically include the following:

[0127] Technical performance indicators:

[0128] Adsorption performance: adsorption capacity (the amount of CO adsorbed per unit mass of adsorbent), selectivity (the separation efficiency of CO from other gases), and adsorption rate.

[0129] Stability: number of regeneration cycles (recycling capacity), adsorption capacity decay rate, mechanical strength (wear resistance).

[0130] Operating conditions: optimal temperature, pressure range, and gas flow rate tolerance.

[0131] If the design objective of the adsorbent is "high cycling stability", then the performance evaluation criteria must be clearly defined:

[0132] Adsorption capacity decay rate ≤ 5% / 100 cycles;

[0133] Based on performance evaluation, the following lifecycle goals are set:

[0134] Technology optimization orientation:

[0135] If the performance setting emphasizes "high adsorption capacity", the LCA target may be "to reduce the environmental impact of a unit CO adsorption amount throughout its entire life cycle".

[0136] If the requirement is "long lifespan (high regeneration cycles)," the goal of LCA might be "to reduce resource consumption due to frequent adsorbent replacements."

[0137] For example, "Compare the resource consumption of biomass-based and chemically synthesized adsorbents throughout their entire life cycle to screen for sustainable raw materials."

[0138] The LCA range is defined based on the performance evaluation, as follows:

[0139] The scope of LCA needs to clearly define system boundaries, functional units, data sources, etc., and its definition must closely revolve around the core indicators set for performance evaluation.

[0140] Raw material acquisition: mineral mining, chemical synthesis, biomass planting (if performance requirements require renewability).

[0141] Adsorbent preparation: molding, activation, doping (if performance settings focus on mechanical strength or active sites).

[0142] Usage phase: Adsorption-regeneration cycle process (regeneration energy consumption, adsorption efficiency).

[0143] Waste disposal: Adsorbent recovery, landfill, or resource recovery (if performance requirements specify a harmlessness rate).

[0144] Exclusion phase:

[0145] Equipment manufacturing (if the performance of the adsorbent is unrelated to the equipment).

[0146] Transportation process (if assessment indicates that transportation contributes less than 5% of total emissions).

[0147] Functional units need to quantify the core performance of the adsorbent, for example:

[0148] "The full life-cycle impact of the adsorbent required to process 1 ton of CO gas and achieve a 95% removal efficiency."

[0149] "Environmental load per 100 regeneration cycles while maintaining an adsorption capacity of ≥ 90% of the initial value."

[0150] Experimental data: adsorption capacity, number of regeneration cycles, and energy consumption (must be consistent with the performance settings).

[0151] Simulation data: Correlation between adsorption energy, regeneration temperature, and energy consumption output from the multi-scale model.

[0152] Database Supplement: Raw material production emissions data in the Ecoinvent database.

[0153] The working principle and beneficial effects of the above technical solution are as follows: Based on the microscopic characterization results of the adsorbent, a multi-scale simulation model is constructed to predict its performance. Combined with the whole life cycle assessment method, resource consumption and environmental impact data are collected to quantitatively assess the environmental impact of different adsorbents. Finally, the main sources of environmental impact and life cycle assessment results are determined, providing a scientific basis for the design, optimization and selection of adsorbents, promoting the research and development and application of environmentally friendly adsorbents, reducing the whole life cycle environmental load of CO2 capture technology, and achieving sustainable development.

[0154] Example 6:

[0155] This invention provides a multi-dimensional adsorbent performance evaluation method, wherein the steps of microscale, mesoscale, and macroscale simulation include:

[0156] Based on the structural changes and structural stability assessment results in the microscopic characterization, a 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 microscale simulation of the adsorbent is carried out.

[0157] Based on the influence of microscopic characterization, boundary conditions and initial conditions for gas diffusion are set to simulate the adsorbent at the mesoscale.

[0158] Based on microscopic characterization, the performance changes of the adsorbent under different operating conditions are determined, and macroscopic-scale simulation of the adsorbent is carried out.

[0159] The simulation results are obtained by combining microscale simulations, mesoscale simulations, and macroscale simulations.

[0160] 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.) to simulate the interaction between CO2 molecules and the adsorbent material. For example, using known crystal structure data, a crystal structure model of a metal-organic framework material can be constructed, for example, in Materials Studio software.

[0161] In this embodiment, structural change and structural stability refer to the changes in the crystal structure, pore structure, etc. of the adsorbent during use (e.g., during adsorption and desorption cycles) and the stability of the structure. For example, when the adsorbent is used at high temperature, some crystal structures collapse and the pore structure changes, resulting in a decrease in structural stability.

[0162] In this embodiment, the adsorption mechanism refers to the specific way and force by which CO2 molecules are adsorbed on the surface of the adsorbent, such as physical adsorption and chemical adsorption. For example, CO2 molecules are adsorbed by interacting with metal ions in the MOF material through electrostatic forces (physical adsorption), or they are chemically bonded to active sites in the material (chemical adsorption).

[0163] In this embodiment, the distribution of active sites and adsorption energy refer to the spatial distribution of sites (active sites) in the adsorbent material that can strongly interact with CO2 molecules, and the adsorption energy of CO2 molecules at these sites. For example, open metal sites in MOF materials are the main active sites, and the adsorption energy of CO2 molecules at these sites is -40 kJ / mol.

[0164] In this embodiment, the influencing factors are the effects of the pore structure, particle size, and surface properties of the adsorbent on CO2 adsorption and diffusion performance. For example, a larger specific surface area and a smaller pore size are beneficial to increasing the CO2 adsorption capacity; a larger particle size may lead to an increase in CO2 diffusion resistance.

[0165] In this embodiment, boundary conditions and initial conditions are required in mesoscale simulations. 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) need to be set for gas diffusion. For example, the CO2 gas inlet concentration is set to 10%, the outlet pressure is 1 atm, and the initial temperature of the adsorbent is 25°C.

[0166] 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 changes in adsorption capacity, adsorption rate, etc. For example, as the temperature increases, the CO2 adsorption capacity of the adsorbent decreases; as the pressure increases, the adsorption capacity increases.

[0167] In this embodiment, the simulation based on active sites and adsorption energy is performed using quantum mechanical methods (such as density functional theory, DFT) or molecular dynamics (MD) simulation, as detailed below:

[0168] The optimal adsorption configuration was determined by calculating the adsorption energy of CO molecules at different active sites on the adsorbent surface using DFT.

[0169] Analyze electronic structure (such as charge transfer and orbital hybridization) to elucidate the adsorption mechanism.

[0170] Evaluate the stability of the crystal structure (e.g., the effect of defects and doping on adsorption performance).

[0171] Output parameters: active site distribution, adsorption energy, electronic density of states (DOS), etc.

[0172] In this embodiment, the method for simulating gas diffusion based on boundary conditions is to use the Lattice Boltzmann method (LBM) or the pore scale model in computational fluid dynamics (CFD), as follows:

[0173] Three-dimensional models of porous media are constructed based on their microstructure (such as pore volume and specific surface area).

[0174] The diffusion dynamics of CO molecules within pores were simulated to calculate the effective diffusion coefficient.

[0175] This study investigates the effects of pore connectivity and pore size distribution on mass transfer efficiency.

[0176] Boundary conditions: inlet concentration gradient, pressure field, and temperature field (derived from macroscopic operating conditions).

[0177] In this embodiment, the macroscopic-scale simulation is performed using a continuum model (such as the mass-energy conservation equation) or finite element analysis (FEA), as detailed below:

[0178] A macroscopic mass transfer-reaction model of the adsorption bed was established to predict the dynamic adsorption capacity and carbon conversion rate.

[0179] The effects of temperature, pressure, and flow rate on adsorption efficiency were analyzed.

[0180] Optimize the adsorption tower design (such as bed height and circulation time).

[0181] Input parameters: microscopic adsorption energy (used in kinetic equations), mesoscopic diffusion coefficient (used in mass transfer equations).

[0182] The working principle and beneficial effects of the above technical solution are as follows: Based on the microscopic characterization results of the adsorbent (structure, stability, performance changes), simulation models at the microscopic (crystal structure, adsorption mechanism), mesoscopic (gas diffusion), and macroscopic (overall performance) scales are constructed respectively. Through simulation calculations, the performance of the adsorbent under different conditions is predicted, and the simulation results are finally obtained by combining the results. This allows for a deeper understanding of the CO2 adsorption mechanism, prediction of adsorbent performance, guidance for the optimal design of adsorbents, and improvement of CO2 capture efficiency and selectivity.

[0183] Example 7:

[0184] This invention provides a multi-dimensional method for evaluating adsorbent performance, the comprehensive evaluation steps of which include:

[0185] The evaluation indicators were derived by combining the results of the first experiment, the results of the second experiment, microscopic characterization, multi-scale simulation results, and life cycle assessment results.

[0186] The adsorbent is comprehensively evaluated based on the evaluation indicators to obtain comprehensive evaluation results. The main bottlenecks in the adsorbent performance are identified from the comprehensive evaluation results, and the optimization direction is determined based on the main bottlenecks.

[0187] In this embodiment, the evaluation index is an indicator used to evaluate the performance of the adsorbent, which may include multiple aspects, such as adsorption capacity (the amount of CO2 adsorbed per unit mass of adsorbent), carbon conversion rate (the percentage of adsorbed CO2 in the total amount of CO2 entering the reactor), cycle stability (the degree to which the adsorbent retains its performance after multiple cycles), anti-sintering ability (the adsorbent's ability 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.).

[0188] In this embodiment, the main bottleneck is the key factor restricting the improvement of adsorbent performance. By analyzing the comprehensive evaluation results, the main limiting factors affecting adsorbent performance can be identified. For example, the main bottleneck of the adsorbent may be poor cycle stability, with the adsorption capacity decreasing significantly after multiple cycles; or a slow adsorption rate, resulting in low overall capture efficiency.

[0189] The working principle and beneficial effects of the above technical solution are as follows: By comprehensively analyzing the experimental results (first and second experiments), microscopic characterization, multi-scale simulation results and life cycle assessment results, a comprehensive performance evaluation index system is constructed to comprehensively evaluate the adsorbent, identify performance bottlenecks, and determine the optimization direction accordingly, thereby improving the performance of the adsorbent, providing a comprehensive and objective evaluation of adsorbent performance, accurately identifying performance bottlenecks, and providing a clear direction for the improvement and optimization of the adsorbent.

[0190] Example 8:

[0191] This invention provides a multi-dimensional adsorbent performance evaluation method, which comprehensively evaluates the adsorbent's performance based on the evaluation indicators to obtain a comprehensive evaluation result, including:

[0192] ,in, The overall performance score at time t; The fuzzy membership function represents the i-th index; This represents the dynamic weight of the i-th indicator at time t; denoted as 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 representing the rate at which the weight decays over time; Let represent the standardized score of the i-th indicator at time t.

[0193] The working principle and beneficial effects of the above technical solution are as follows: By using fuzzy mathematics, the dynamic weights and nonlinear weight functions of multiple evaluation indicators are combined, and the score of each indicator is calculated through fuzzy membership functions. Finally, the comprehensive performance score is obtained by weighted summation. The change of this score over time reflects the dynamic change of the adsorbent performance and effectively reflects the trend of performance change over time. This provides a more accurate basis for the optimized design and lifetime prediction of the adsorbent, thereby improving the CO2 capture efficiency.

[0194] Finally, it should be noted that the above embodiments are only used to illustrate the technical solutions of the present invention, and not to limit them; although the present invention has been described in detail with reference to the foregoing embodiments, those skilled in the art should understand that modifications can still be made to the technical solutions described in the foregoing embodiments, or equivalent substitutions can be made to some of the technical features; and these modifications or substitutions do not cause the essence of the corresponding technical solutions to deviate from the spirit and scope of the technical solutions of the embodiments of the present invention.

Claims

1. A multi-dimensional method for evaluating the performance of adsorbents, characterized in that, include: Step 1: Conduct the first test on the adsorbent, record the change in adsorbent mass after each cycle, evaluate the adsorption performance of the adsorbent, and obtain the results of the first test. Conduct the second test on the adsorbent to determine the adsorbent's anti-sintering ability and cycle stability, and obtain the results of the second test. Step 2: Observe the changes in the microstructure of the adsorbent before and after the experiment, the effects, and the crystal structure to obtain the microscopic characterization of the adsorbent. Step 3: Perform multi-scale simulations on the adsorbent based on the microscopic characterization, and conduct a life cycle assessment on the adsorbent based on the simulation results to obtain the life cycle assessment results; Step 4: Based on the combined results of the first and second experiments, microscopic characterization, multi-scale simulation, and life cycle assessment, conduct a comprehensive performance evaluation of the adsorbent and propose optimization directions based on the comprehensive evaluation results; The life cycle assessment of the adsorbent includes: The adsorbent is simulated at the micro, meso, and macro scales based on microscopic characterization, and simulation results are obtained. The steps of these micro, meso, and macro scale simulations include: constructing a crystal structure model of the adsorbent based on the structural changes and structural stability assessment results from microscopic characterization; analyzing the adsorption mechanism of CO2 molecules on the adsorbent surface; determining the distribution of active sites and adsorption energy; and then performing microscopic scale simulation of the adsorbent. Based on the influence of microscopic characterization, boundary conditions and initial conditions for gas diffusion are set, and mesoscopic scale simulation of the adsorbent is performed. Based on microscopic characterization, the performance changes of the adsorbent under different operating conditions are determined, and macroscopic scale simulation of the adsorbent is performed. The simulation results are obtained by combining the microscopic, mesoscopic, and macroscopic scale simulations. Based on the performance evaluation settings of the adsorbent, the evaluation objectives and corresponding evaluation scope for the life cycle are determined. Combined with the simulation results, evaluation objectives and evaluation scope, resource consumption and environmental impact data of the adsorbent throughout its entire life cycle are collected to obtain the corresponding environmental impact of the adsorbent. By comparing the environmental impacts of different adsorbents, identifying the main sources of environmental impact, and obtaining the corresponding life cycle assessment results for the adsorbents.

2. The multi-dimensional adsorbent performance evaluation method according to claim 1, characterized in that, The first experiment includes conducting a first experiment on the adsorbent using a fixed-bed adsorption reactor, recording the change in adsorbent mass after each first experiment, calculating the adsorption amount and carbon conversion rate, plotting the adsorption-desorption reaction curve based on the adsorption amount and carbon conversion rate, evaluating the adsorption performance of the adsorbent in multiple tests, and obtaining the results of the first experiment. The second experiment includes observing the performance degradation of the adsorbent during multiple adsorption-desorption processes, and evaluating the adsorbent's anti-sintering ability by combining the adsorption-desorption curves and microscopic characterization, thereby obtaining the results of the second experiment.

3. The multi-dimensional adsorbent performance evaluation method according to claim 2, characterized in that, The steps for evaluating the repeated adsorption performance of the adsorbent include: Based on the adsorption-desorption reaction curves of the cyclic test, the trends of adsorption capacity and carbon conversion rate with the number of cycles were observed. Combining these trends with the decay rate of the curves, the adsorption performance of the adsorbent was evaluated, and the first experimental results were obtained.

4. The multi-dimensional adsorbent performance evaluation method according to claim 1, characterized in that, The microscopic characterization of the adsorbent was obtained, specifically including: Observe the microstructure of the adsorbent before and after the experiment, analyze the particle state, pore structure and agglomeration of the adsorbent, and evaluate the structural changes of the adsorbent during the cycling process by combining the particle state, pore structure and agglomeration. The specific surface area, pore volume, and average pore size of the adsorbent were measured to analyze the influence of the pore structure of the adsorbent on CO2 diffusion and adsorption performance. The crystal structure of the adsorbent before and after the experiment was analyzed to determine the adsorbent composition and the corresponding phase transition. Based on the phase transition, the stability of the crystal structure of the adsorbent during the experiment was evaluated. The microscopic characterization of the adsorbent was determined by combining the above structural changes, their impacts, and the results of the structural stability assessment.

5. The multi-dimensional adsorbent performance evaluation method according to claim 1, characterized in that, The comprehensive evaluation steps include: The evaluation indicators were derived by combining the results of the first experiment, the results of the second experiment, microscopic characterization, multi-scale simulation results, and life cycle assessment results. The adsorbent is comprehensively evaluated based on the evaluation indicators to obtain comprehensive evaluation results. The main bottlenecks in the adsorbent performance are identified from the comprehensive evaluation results, and the optimization direction is determined based on the main bottlenecks.

6. The multi-dimensional adsorbent performance evaluation method according to claim 5, characterized in that, The adsorbent's comprehensive performance is evaluated based on the aforementioned evaluation indicators, resulting in a comprehensive evaluation result, including: ， in, The overall performance score at time t; The fuzzy membership function represents the i-th index; This represents the dynamic weight of the i-th indicator at time t; denoted as 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 representing the rate at which the weight decays over time; Let represent the standardized score of the i-th indicator at time t.

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