Method for evaluating adsorption performance of activated carbon for trace organic pollutants in water
Patent Information
- Application Number
- CN202410177652.6
- Authority / Receiving Office
- CN · China
- Patent Type
- Patents(China)
- Current Assignee / Owner
- Filing Date
- 2024-02-08
- Publication Date
- 2026-10-09
- Estimated Expiration
- 2044-02-08
AI Technical Summary
[0004]本发明的主要目的在于提供一种水中微量有机污染物活性炭吸附性能评估方法,以解决现有技术中采用试验方法确定有机污染物的活性炭吸附特性耗时、成本高的问题
[0031] By applying the technical solution of this invention, a relationship between the activated carbon adsorption performance parameters and the linear solvation free energy parameters of various organic pollutants is constructed using the activated carbon adsorption performance parameters and the linear solvation free energy parameters of each organic pollutant. Then, based on this relationship and the linear solvation free energy parameters of the organic pollutant to be tested, the activated carbon adsorption performance parameters of the organic pollutant to be tested can be obtained without further experiments, and the applicability of activated carbon adsorption technology can be determined.
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Abstract
Description
Technical Field
[0001] This invention relates to the field of environmental risk management technology, and more specifically, to a method for evaluating the adsorption performance of activated carbon for trace organic pollutants in water. Background Technology
[0002] Environmental safety is a crucial component of national security. Among various environmental incidents, water pollution incidents are a major type, characterized by frequent occurrences, long response cycles, and significant treatment challenges. Organic matter is a primary pollutant in water pollution incidents. According to statistics from the Ministry of Ecology and Environment, organic pollutants account for more than two-thirds of all pollutant types. Major organic pollutants include: benzene, crude phenol, chlorobenzene, styrene, dimethylaniline, p-nitrochlorobenzene, diethylene glycol, dimethyl sulfate, methyl isocyanate, formaldehyde, carbonyl chloride, coal tar, petroleum hydrocarbons, and hazardous chemicals. Common treatment technologies for trace organic pollutants in water include activated carbon adsorption, oxidation, aeration stripping, and biological methods. Different organic pollutants require different emergency treatment technologies, with activated carbon adsorption being the most frequently used.
[0003] Activated carbon, as a non-polar adsorbent, is suitable for the removal of non-polar and weakly polar organic pollutants. Researchers have conducted extensive experimental studies on the organic pollutants covered by standards, determining the activated carbon adsorption properties of these pollutants. However, the activated carbon adsorption properties for the vast majority of organic pollutants not covered by standards remain unclear. In the context of sudden environmental incidents, emergency response personnel do not have sufficient time to conduct detailed experimental studies on the removal characteristics of activated carbon for these organic pollutants. Moreover, determining the activated carbon adsorption characteristics of organic pollutants using experimental methods is both time-consuming and expensive, making it difficult to complete during emergency situations. Summary of the Invention
[0004] The main objective of this invention is to provide a method for evaluating the adsorption performance of activated carbon for trace organic pollutants in water, so as to solve the problems of time-consuming and costly experimental methods used in the prior art to determine the adsorption characteristics of activated carbon for organic pollutants.
[0005] To achieve the above objectives, according to one aspect of the present invention, a method for evaluating the adsorption performance of activated carbon for trace organic pollutants in water is provided, comprising:
[0006] Step S1: Obtain activated carbon adsorption performance parameters of several organic pollutants and linear solvation free energy parameters of each organic pollutant.
[0007] Step S2: Based on the activated carbon adsorption performance parameters and linear solvation free energy parameters of each organic pollutant, construct the relationship between the activated carbon adsorption performance parameters and linear solvation free energy parameters of the organic pollutants; the activated carbon adsorption performance parameters of the organic pollutants are used to evaluate the adsorption capacity of activated carbon for organic pollutants in water.
[0008] Step S3: Based on the relationship between the activated carbon adsorption performance parameters of organic pollutants and the linear solvation free energy parameters of organic pollutants, as well as the linear solvation free energy parameters of the organic pollutants to be tested, obtain the activated carbon adsorption performance parameters of the organic pollutants to be tested.
[0009] Furthermore, the linear solvation free energy parameters of organic pollutants include the excess molar refractive index of solute molecules, the total hydrogen bond acidity of solute molecules, the total hydrogen bond basicity of solute molecules, and the McGowan characteristic molecular volume, or include the molecular polarity / dipole moment between solvent and solute, the total hydrogen bond acidity of solute molecules, the total hydrogen bond basicity of solute molecules, and the McGowan characteristic molecular volume.
[0010] Furthermore, the linear solvation free energy parameters of organic pollutants are obtained by consulting physicochemical handbooks and / or databases by name of the organic pollutant, and / or by calculation based on the molecular structure of the organic pollutant.
[0011] Further, in step S1, the activated carbon adsorption performance parameter for organic pollutants is the Langmuir adsorption equilibrium constant of the organic pollutants; in step S2, based on the Langmuir adsorption equilibrium constant of each organic pollutant and the linear solvation free energy parameter of each organic pollutant, a relationship between the Langmuir adsorption equilibrium constant of the organic pollutants and the linear solvation free energy parameter of the organic pollutants is constructed; in step S3, based on the relationship between the Langmuir adsorption equilibrium constant of the organic pollutants and the linear solvation free energy parameter of the organic pollutants, and the linear solvation free energy parameter of the organic pollutant to be tested, the Langmuir adsorption equilibrium constant of the organic pollutant to be tested is calculated.
[0012] Furthermore, in step S1, the Langmuir adsorption equilibrium constant K for each organic pollutant... L Obtained respectively through formula (VI);
[0013]
[0014] Where, q e This represents the amount of organic pollutants adsorbed per unit mass of activated carbon adsorbent at adsorption equilibrium, expressed in mg / mg; C e q represents the equilibrium concentration of organic pollutants in the bulk liquid phase, expressed in mg / L; m'b' represents the maximum adsorption capacity of the Langmuir adsorption isotherm, in mg / mg; 'b' represents the parameters of the Langmuir adsorption isotherm, in L / mg.
[0015] Furthermore, the Langmuir adsorption isotherm parameter b and the maximum adsorption capacity q of the Langmuir adsorption isotherm are... m The steps for obtaining the adsorption capacity of organic pollutants on activated carbon at different equilibrium concentrations are as follows: The Langmuir adsorption isotherm equation (VII) is fitted to the equation, and the Langmuir adsorption isotherm parameter b and the maximum adsorption capacity q of the Langmuir adsorption isotherm are calculated using the fitted equation. m ;
[0016]
[0017] Furthermore, in step S3, the Langmuir adsorption equilibrium constant K of the organic pollutant to be tested... L The calculation formula is shown in equation (I):
[0018] lgK L = -0.387A - 0.873B + 0.448E + 0.916V - 1.374 Equation (I);
[0019] Where E is the excess molar refractive index of the solute molecule, A is the total hydrogen bond acidity of the solute molecule, B is the total hydrogen bond basicity of the solute molecule, and V is the M McGowan characteristic molecular volume.
[0020] Furthermore, in step S3, when the organic pollutant to be tested is a monocyclic aromatic compound, the formula for calculating the Langmuir adsorption equilibrium constant KL of the organic pollutant to be tested is shown in equation (II):
[0021] lgK L = -0.007A - 1.241B + 1.318E + 0.965V - 2.035 Equation (II);
[0022] When the analyte is a polycyclic aromatic compound, the Langmuir adsorption equilibrium constant K of the analyte is... L The calculation formula is as shown in equation (III):
[0023] lgK L = -0.110A - 1.008B + 0.071E + 1.823V - 1.888 Equation (III);
[0024] When the analyte is an aliphatic compound, the Langmuir adsorption equilibrium constant K of the analyte is... LThe calculation formula is as shown in equation (IV):
[0025] lgK L = -0.743A - 1.633B + 0.270E + 1.774V - 2.253 Equation (IV);
[0026] When the analyte is a heterocyclic compound, the Langmuir adsorption equilibrium constant K of the analyte is... L The calculation formula is shown in equation (V):
[0027] lgK L = -1.818A - 0.742B + 1.016E + 1.592V - 3.143 (V).
[0028] Furthermore, it also includes step S4, which assesses whether activated carbon can be used for the adsorption and treatment of the organic pollutants in water based on the magnitude of the Langmuir adsorption equilibrium constant of the organic pollutants to be tested.
[0029] Preferably, the Langmuir adsorption equilibrium constant of the organic pollutant to be tested is ≥0.1, which indicates that the activated carbon can be used for the adsorption and treatment of the organic pollutant to be tested in water.
[0030] Furthermore, the concentration of the organic pollutants to be tested in the water was 0.01-1 mg / L.
[0031] By applying the technical solution of this invention, a relationship between the activated carbon adsorption performance parameters and the linear solvation free energy parameters of various organic pollutants is constructed using the activated carbon adsorption performance parameters and the linear solvation free energy parameters of each organic pollutant. Then, based on this relationship and the linear solvation free energy parameters of the organic pollutant to be tested, the activated carbon adsorption performance parameters of the organic pollutant to be tested can be obtained without further experiments, and the applicability of activated carbon adsorption technology can be determined.
[0032] Using the above method, the activated carbon adsorption performance of organic pollutants both within and outside the standard can be evaluated. The evaluation process is efficient, low-cost, and universally applicable, and can guide emergency response to sudden water pollution incidents. Detailed Implementation
[0033] It should be noted that, unless otherwise specified, the embodiments and features described in this application can be combined with each other. The present invention will now be described in detail with reference to the embodiments.
[0034] As described in the background, existing technologies suffer from time-consuming and costly methods for determining the activated carbon adsorption characteristics of organic pollutants. To address these issues, this invention provides a method for evaluating the activated carbon adsorption performance of trace organic pollutants in water, comprising the following steps: Step S1, obtaining activated carbon adsorption performance parameters of several organic pollutants and the linear solvation free energy (LSER) parameters of each organic pollutant; Step S2, constructing a relationship between the activated carbon adsorption performance parameters and the LSER parameters of each organic pollutant based on these parameters; the activated carbon adsorption performance parameters of the organic pollutants are used to evaluate the adsorption capacity of activated carbon for organic pollutants in water; Step S3, obtaining the activated carbon adsorption performance parameters of the organic pollutant to be tested based on the relationship between the activated carbon adsorption performance parameters and the LSER parameters, and the LSER parameters of the organic pollutant to be tested. To achieve efficient and low-cost assessment of the activated carbon adsorption properties of organic pollutants, this invention provides a method for evaluating the activated carbon adsorption performance of trace organic pollutants in water. By establishing the relationship between the activated carbon adsorption performance parameters and the linear solvation free energy (LSE) parameters of each organic pollutant, a method can be developed. Based on this relationship and the LSE parameter of the organic pollutant to be tested, the activated carbon adsorption performance parameters can be obtained without further experiments, thus determining the applicability of activated carbon adsorption technology. This method can assess the activated carbon adsorption performance of both non-standard and standard organic pollutants. The assessment process is efficient, low-cost, and universally applicable, and can guide emergency response to sudden water pollution incidents.
[0035] In a preferred embodiment, the linear solvation free energy parameters of organic pollutants include the excess molar refractive index of solute molecules, the total hydrogen bond acidity of solute molecules, the total hydrogen bond basicity of solute molecules, and the McGowan characteristic molecular volume; or they include the molecular polarity / dipole moment between solvent and solute, the total hydrogen bond acidity of solute molecules, the total hydrogen bond basicity of solute molecules, and the McGowan characteristic molecular volume. Both the excess molar refractive index E of solute molecules and the molecular polarity / dipole moment S between solvent and solute can be used to characterize adsorbate polarity, and they exhibit a good correlation. To simplify the model, only one of these two parameters needs to be selected during the model calculation process, along with the total hydrogen bond acidity, total hydrogen bond basicity, and McGowan characteristic molecular volume of solute molecules, as independent variables. This allows for the construction of the relationship between the activated carbon adsorption performance parameters of organic pollutants and the linear solvation free energy parameters of organic pollutants, thereby enabling the evaluation of the activated carbon adsorption performance of the tested organic pollutants.
[0036] In a preferred embodiment, the linear solvation free energy (LSER) parameter of the organic pollutant is obtained by consulting physicochemical handbooks and / or databases using the name of the organic pollutant, and / or calculated using the molecular structure of the organic pollutant. The LSER parameter of the organic pollutant can be obtained either by consulting physicochemical handbooks and databases, or by calculating the LSER parameter using software capable of performing LSER parameter calculations, such as ACD / LabS, based on the molecular structure of the organic pollutant.
[0037] In a preferred embodiment, in step S1, the activated carbon adsorption performance parameter for each organic pollutant is the Langmuir adsorption equilibrium constant of each organic pollutant; in step S2, based on the Langmuir adsorption equilibrium constant and the linear solvation free energy parameter of each organic pollutant, a relationship between the Langmuir adsorption equilibrium constant and the linear solvation free energy parameter of the organic pollutant is constructed; in step S3, based on the relationship between the Langmuir adsorption equilibrium constant and the linear solvation free energy parameter of the organic pollutant and the linear solvation free energy parameter of the organic pollutant to be tested, the Langmuir adsorption equilibrium constant of the organic pollutant to be tested is calculated. Using the Langmuir adsorption equilibrium constant of the organic pollutant as the activated carbon adsorption performance parameter for the organic pollutant is used to evaluate the adsorption capacity of activated carbon for organic pollutants in water containing organic pollutants, which is easy to obtain and widely used.
[0038] In a preferred embodiment, in step S1, the Langmuir adsorption equilibrium constant K of each organic pollutant is... L Obtained separately through equation (VI):
[0039]
[0040] Where, q e This represents the amount of organic pollutants adsorbed per unit mass of activated carbon adsorbent at adsorption equilibrium, expressed in mg / mg; C e q represents the equilibrium concentration of organic pollutants in the bulk liquid phase, expressed in mg / L; m 'b' represents the maximum adsorption capacity of the Langmuir adsorption isotherm, in mg / mg; 'b' represents the parameters of the Langmuir adsorption isotherm, in L / mg.
[0041] In a preferred embodiment, the Langmuir adsorption isotherm parameter b and the maximum adsorption capacity q of the Langmuir adsorption isotherm are... mThe steps for obtaining the adsorption capacity of organic pollutants on activated carbon at different equilibrium concentrations are as follows: The Langmuir adsorption isotherm equation (VII) is fitted to the equation, and the Langmuir adsorption isotherm parameter b and the maximum adsorption capacity q of the Langmuir adsorption isotherm are calculated using the fitted equation. m ;
[0042]
[0043] Therefore, based on C e / q e and C e By fitting the Langmuir adsorption isotherm equation for activated carbon adsorption of organic pollutants, b and q can be obtained from the slope and intercept of the equation. m Then, K can be calculated according to equation VI. L .
[0044] In a preferred embodiment, the Langmuir adsorption equilibrium constant K of the organic pollutant to be tested in step S3 is... L The calculation formula is shown in equation (I):
[0045] lgK L = -0.387A - 0.873B + 0.448E + 0.916V - 1.374 Equation (I);
[0046] Where E is the excess molar refractive index of the solute molecule, A is the total hydrogen bond acidity of the solute molecule, B is the total hydrogen bond basicity of the solute molecule, and V is the M McGowan characteristic molecular volume. Equation (I) has a very wide range of applications and can be used for the Langmuir adsorption equilibrium constant K of various common types of organic pollutants. L Make a prediction, and K L The predicted value is close to the actual value.
[0047] To further improve K L The closer the predicted value is to the actual value, the better the accuracy of the prediction. In a preferred embodiment, in step S3, when the organic pollutant to be tested is a monocyclic aromatic compound, the Langmuir adsorption equilibrium constant K of the organic pollutant to be tested is... L The calculation formula is shown in equation (II):
[0048] lg K L = -0.007A - 1.241B + 1.318E + 0.965V - 2.035 Equation (II);
[0049] When the analyte is a polycyclic aromatic compound in step S3, the Langmuir adsorption equilibrium constant K of the analyte is... L The calculation formula is shown in equation (III). A relationship is constructed using the Langmuir adsorption equilibrium constant and linear solvation free energy parameter of polycyclic aromatic compounds, and subsequent calculations are performed on the K-type polycyclic aromatic compounds. L Predicting, obtaining K L The predicted values are closer to the actual values:
[0050] lgK L = -0.110A - 1.008B + 0.071E + 1.823V - 1.888 Equation (III);
[0051] In step S3, when the analyte is an aliphatic compound, the Langmuir adsorption equilibrium constant K of the analyte is... L The calculation formula is shown in equation (IV). The relationship is constructed using the Langmuir adsorption equilibrium constant and linear solvation free energy parameter of aliphatic compounds, and then the K of aliphatic compounds is calculated. L Predicting, obtaining K L The predicted values are closer to the actual values:
[0052] lgK L = -0.743A - 1.633B + 0.270E + 1.774V - 2.253 Equation (IV);
[0053] In step S3, when the analyte is a heterocyclic compound, the Langmuir adsorption equilibrium constant K of the analyte is... L The calculation formula is shown in equation (V). The relationship is constructed using the Langmuir adsorption equilibrium constant and linear solvation free energy parameter of the heterocyclic compound, and then the K of the heterocyclic compound is calculated. L Predicting, obtaining K L The predicted values are closer to the actual values:
[0054] lgK L = -1.818A - 0.742B + 1.016E + 1.592V - 3.143 (V).
[0055] In a preferred embodiment, the method further includes step S4, evaluating whether activated carbon can be used for the adsorption and treatment of the organic pollutant in water based on the magnitude of its Langmuir adsorption equilibrium constant; preferably, if the Langmuir adsorption equilibrium constant of the organic pollutant is ≥0.1, the activated carbon can be used for the adsorption and treatment of the organic pollutant in water. When the Langmuir adsorption equilibrium constant of the organic pollutant is ≥0.1, activated carbon has good adsorption performance for organic pollutants in water. Adsorption and treatment with activated carbon can effectively remove trace amounts of organic pollutants in water, avoid the use of large quantities of activated carbon, is economical and environmentally friendly, and has a high removal rate, making it suitable for direct treatment by activated carbon adsorption processes.
[0056] In a preferred embodiment, the concentration of the organic pollutant to be tested in the water is 0.01-1 mg / L. The trace organic pollutant K in the water falls within this concentration range. L The predicted values are closer to the experimental values, which can be used to guide emergency treatment of low-concentration organic pollution in drinking water sources.
[0057] The present application will be further described in detail below with reference to specific embodiments, which should not be construed as limiting the scope of protection claimed in the present application.
[0058] Example 1
[0059] The method for evaluating the adsorption performance of activated carbon for trace amounts of nitrobenzene in water includes the following steps:
[0060] (1) Obtain the LSER parameters A, B, E, and V of the 35 monocyclic aromatic compounds shown in Table 1. Specifically, input the Smiles code of the monocyclic aromatic compounds into the ACD / LabS software to calculate the LSER parameters A, B, E, and V of the monocyclic aromatic compounds. The LSER parameters of each monocyclic aromatic compound are shown in Table 1.
[0061] (2) Obtain the Langmuir adsorption equilibrium constant K for each monocyclic aromatic compound. L Specifically, the Langmuir adsorption equilibrium constant K for monocyclic aromatic compounds. L The steps to obtain it are as follows:
[0062] 2.1 Take a series of brown reagent bottles of equal volume and number them.
[0063] 2.2 Add a series of masses of activated carbon to a brown reagent bottle so that the concentration of activated carbon in the aqueous solution of the monocyclic aromatic compound is 3, 5, 10, 15, 20, and 30 mg / L, respectively.
[0064] 2.3 Add 600 mL of an aqueous solution of a monocyclic aromatic compound with the same initial concentration to each reagent bottle, wherein the concentration of the monocyclic aromatic compound in the aqueous solution is 0.1 mg / L.
[0065] 2.4 Place the reagent bottle containing the aqueous solution of the monocyclic aromatic compound into the rotating shaft reactor to allow for adsorption equilibrium.
[0066] 2.5 After adsorption equilibrium is reached, a 0.45μm filter head is used. Merck separated activated carbon from an aqueous solution of monocyclic aromatic compounds after adsorption equilibrium and determined the equilibrium concentration of organic pollutants in the bulk liquid phase.
[0067] 2.6 Calculate the amount of organic pollutants adsorbed per unit mass of activated carbon adsorbent at adsorption equilibrium, q. e .
[0068]
[0069] Where C0 is the initial concentration of organic pollutants in the bulk liquid phase, in mg / L, C e The equilibrium concentration of organic pollutants in the liquid phase is expressed in mg / L, and W is the corresponding amount of powdered activated carbon added, expressed in mg.
[0070] C0 and C e It can be determined using high performance liquid chromatography (1260 Infinity, Agilent Technologies);
[0071] The activated carbon used in the experiment was granular activated carbon F400 for water treatment manufactured by Calgon Corporation, USA. To study its adsorption performance, it was ground into powder using a pulverizer and dried before being used as a test sample. The water used in the experiment was pure water prepared using an ultrapure water purification system (Milli-Q, Merck). To prevent the adsorbate and activated carbon from affecting the pH of the adsorption system, phosphate was added to the aqueous solution to form a 1 mmol / L phosphate buffer solution during the experiment, and the pH of the phosphate buffer solution was controlled at 7.0. This buffer solution was then used to prepare an aqueous solution of monocyclic aromatic compounds.
[0072] 2.7, Based on C e / q e and C e The Langmuir adsorption isotherm equation (VII) for activated carbon adsorption of organic pollutants was fitted, and b and q were used to fit the equation. m It can be obtained from the slope and intercept of the equation.
[0073]
[0074] Where, qe This represents the amount of organic pollutants adsorbed per unit mass of activated carbon adsorbent at adsorption equilibrium, expressed in mg / mg. e This represents the equilibrium concentration of organic pollutants in the bulk liquid phase, expressed in mg / L.
[0075] 2.8, according to K was calculated L ; where q m 'b' represents the maximum adsorption capacity of the Langmuir adsorption isotherm, in mg / mg; 'b' represents the parameters of the Langmuir adsorption isotherm, in L / mg.
[0076] (3) Based on the K of 38 monocyclic aromatic compounds in Table 1 L Using LSER parameters A, B, E, and V, the Langmuir adsorption equilibrium constant K of the monocyclic aromatic compound to be tested, as shown in equation (II), was obtained through fitting. L The calculation formula is as follows:
[0077] lg K L = -0.007A - 1.241B + 1.318E + 0.965V - 2.035 Equation (II);
[0078] (4) Input the Smiles code of nitrobenzene into ACD / LabS software to calculate the LSER parameters A, B, E, and V of nitrobenzene. The results show that A is 0, B is 0.280, E is 0.871, and V is 0.891. Substitute these values into formula (II) to obtain the K of nitrobenzene. L The predicted value is 0.422, which is greater than 0.1. Therefore, nitrobenzene can be removed by activated carbon adsorption. In practical applications, nitrobenzene can be removed by activated carbon adsorption as an emergency treatment measure. At the same time, refer to step (2) to obtain the Langmuir adsorption equilibrium constant K of nitrobenzene. L The experimental value was 0.414, and the predicted value and the experimental value were very consistent.
[0079] Table 1. Parameters of organic pollutants from various monocyclic aromatic compounds
[0080]
[0081]
[0082] Example 2
[0083] A method for evaluating the adsorption performance of trace amounts of 4-methyl-2-pentanol in water using activated carbon includes the following steps:
[0084] (1) Input the Smiles code of 4-methyl-2-pentanol into ACD / LabS software to calculate the LSER parameters A, B, E, and V of 4-methyl-2-pentanol. The values are A = 0.330, B = 0.560, E = 0.167, and V = 1.013. Substitute these values into the calculation formula shown in equation (IV) to obtain the K of 4-methyl-2-pentanol. L The value is 0.027, which is less than 0.1. Therefore, the adsorption performance of this pollutant is poor and it is not suitable for activated adsorption treatment. If activated carbon adsorption treatment is used, a large amount of activated carbon needs to be added to achieve the expected effect, thereby increasing the treatment cost.
[0085] lgK L = -0.743A - 1.633B + 0.270E + 1.774V - 2.253 Equation (IV);
[0086] (2) Obtain the K of 4-methyl-2-pentanol by referring to step (2) in Example 1. L The experimental value was 0.025, and the predicted value and the experimental value were very consistent.
[0087] As can be seen from the above description, the embodiments of the present invention have achieved the evaluation of activated carbon adsorption performance of organic pollutants in water, which is efficient, low-cost, and the predicted values and experimental values are in very good agreement.
[0088] The above description is merely a preferred embodiment of the present invention and is not intended to limit the invention. Various modifications and variations can be made to the present invention by those skilled in the art. Any modifications, equivalent substitutions, improvements, etc., made within the spirit and principles of the present invention should be included within the scope of protection of the present invention.
Claims
1. A method for evaluating the adsorption performance of activated carbon for trace organic pollutants in water, characterized in that, include: Step S1: Obtain activated carbon adsorption performance parameters of several organic pollutants and linear solvation free energy parameters of each organic pollutant; the linear solvation free energy parameters of the organic pollutants include the excess molar refractive index E of the solute molecule, the total hydrogen bond acidity A of the solute molecule, the total hydrogen bond basicity B of the solute molecule, and the McGowan characteristic molecular volume V; the activated carbon adsorption performance parameters of the organic pollutants are the Langmuir adsorption equilibrium constants of the organic pollutants. Step S2: Based on the activated carbon adsorption performance parameters of each organic pollutant and the linear solvation free energy parameters of each organic pollutant, construct the relationship between the activated carbon adsorption performance parameters of the organic pollutants and the linear solvation free energy parameters of the organic pollutants; the activated carbon adsorption performance parameters of the organic pollutants are parameters used to evaluate the adsorption capacity of activated carbon for organic pollutants in water. Step S3: Based on the relationship between the activated carbon adsorption performance parameters of the organic pollutant and the linear solvation free energy parameters of the organic pollutant, and the linear solvation free energy parameters of the organic pollutant to be tested, obtain the activated carbon adsorption performance parameters of the organic pollutant to be tested; the activated carbon adsorption performance parameters of the organic pollutant to be tested are the Langmuir adsorption equilibrium constants of the organic pollutant to be tested. When the analyte is a monocyclic aromatic compound, the Langmuir adsorption equilibrium constant of the analyte is... K L The calculation formula is shown in equation (II): Formula (II); When the analyte is a polycyclic aromatic compound, the Langmuir adsorption equilibrium constant of the analyte is... K L The calculation formula is as shown in equation (III): Formula (III); When the organic pollutant to be tested is an aliphatic compound, the Langmuir adsorption equilibrium constant of the organic pollutant to be tested is... K L The calculation formula is as shown in equation (IV): Formula (IV); When the analyte is a heterocyclic compound, the Langmuir adsorption equilibrium constant of the analyte is... K L The calculation formula is shown in equation (V): Formula (V).
2. The method for evaluating the adsorption performance of activated carbon for trace organic pollutants in water according to claim 1, characterized in that, The linear solvation free energy parameters of the organic pollutants are obtained by consulting physicochemical handbooks and / or databases by name of the organic pollutant, and / or by calculation based on the molecular structure of the organic pollutant.
3. The method for evaluating the adsorption performance of activated carbon for trace organic pollutants in water according to claim 1, characterized in that, In step S1, the Langmuir adsorption equilibrium constants of each of the organic pollutants are determined. K L Obtained respectively through formula (VI); Formula VI; in, q e This represents the amount of organic pollutants adsorbed per unit mass of activated carbon adsorbent at adsorption equilibrium, expressed in mg / mg. C e This represents the equilibrium concentration of organic pollutants in the bulk liquid phase, expressed in mg / L. q m The maximum adsorption capacity of the Langmuir adsorption isotherm is expressed in mg / mg. b The parameters are for the Langmuir adsorption isotherm, expressed in L / mg.
4. The method for evaluating the adsorption performance of activated carbon for trace organic pollutants in water according to claim 3, characterized in that, The Langmuir adsorption isotherm parameters b Maximum adsorption capacity of Langmuir adsorption isotherm q m The steps for obtaining the parameters are as follows: The adsorption capacity of the organic pollutant on activated carbon at different equilibrium concentrations is determined experimentally; the Langmuir adsorption isotherm equation shown in equation (VII) is fitted; and the Langmuir adsorption isotherm parameters are calculated using the fitted equation. b Maximum adsorption capacity of Langmuir adsorption isotherm q m ; Equation (VII).
5. The method for evaluating the adsorption performance of activated carbon for trace organic pollutants in water according to claim 1, characterized in that, It also includes step S4, which assesses whether activated carbon can be used for the adsorption and treatment of the organic pollutant in water based on the magnitude of the Langmuir adsorption equilibrium constant of the organic pollutant to be tested.
6. The method for evaluating the adsorption performance of activated carbon for trace organic pollutants in water according to claim 5, characterized in that, When the Langmuir adsorption equilibrium constant of the organic pollutant to be tested is ≥0.1, the activated carbon is evaluated as suitable for the adsorption and treatment of the organic pollutant to be tested in water.
7. The method for evaluating the adsorption performance of activated carbon for trace organic pollutants in water according to any one of claims 1-6, characterized in that, The concentration of the organic pollutant to be tested in the water is 0.01-1 mg / L.
Citation Information
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