Method, apparatus, and medium for predicting safe use period of an aerosolized substrate

Abstract

The application provides a method, device and medium for predicting the safe use period of an atomized substrate; the method can be used for predicting the safe use days of an atomized substrate containing ethanedione, determining the effective rate constant of the oxidation of ethanedione into diacetyl, determining the safe days before the concentration of diacetyl in the atomized substrate reaches a diacetyl safety threshold according to the effective rate constant and the initial concentration of ethanedione in the atomized substrate. Compared with the way of directly detecting the atomized substrate to determine diacetyl in the related art, the embodiment of the application does not need to consume manpower and material resources for detection, but only needs to make prediction based on simple and existing data, thereby improving the detection and analysis efficiency of the atomized substrate.

Description

Technical Field

[0001] This application relates to the field of pharmaceutical technology, and in particular to a method, apparatus and medium for predicting the safe service life of an atomizing matrix. Background Technology

[0002] A common creamy flavoring additive in e-liquids, acetoin (3-hydroxy-2-butanone), undergoes an oxidative dehydrogenation reaction during storage to convert into 2,3-butanedione (diacetyl). Related technologies require the detection of diacetyl content in e-liquids. However, in practical applications, the diacetyl content in e-liquids can only be detected by directly testing the stored e-liquid, a method difficult to implement in actual e-liquid storage conditions. Summary of the Invention

[0003] In view of the above problems, methods, devices, and media for predicting the safe service life of atomizing matrices that overcome or at least partially solve the above problems are proposed, including: A method for predicting the safe service life of an atomizing matrix, used to predict the number of safe service days for an atomizing matrix containing acetoin, the method comprising: Determine the effective rate constant for the oxidation of acetoin to diacetyl; Based on the effective rate constant and the initial concentration of acetoin in the atomizing matrix, determine the number of safe days before the concentration of diacetyl in the atomizing matrix reaches the diacetyl safety threshold.

[0004] In some embodiments, determining the effective rate constant for the oxidation of acetoin to diacetyl includes: Determine the intrinsic oxidation rate constant of acetoin under nicotine-free conditions; The effective rate constant is determined based on the intrinsic oxidation rate constant of acetoin.

[0005] In some embodiments, the atomizing matrix further includes a nicotine salt, and determining the effective rate constant based on the intrinsic oxidation rate constant of the acetoin includes: The effective rate constant is determined based on the intrinsic oxidation rate constant of acetoin and the concentration of nicotine salt in the atomizing matrix.

[0006] In some embodiments, the atomizing matrix further includes a nicotine salt, and determining the effective rate constant of the acetoin in its oxidation to diacetyl includes: The effective rate constant is determined from a preset database based on the type and concentration of the nicotine salt. The preset database stores the effective rate constants corresponding to different concentrations of nicotine salts.

[0007] In some embodiments, determining the effective rate constant based on the intrinsic oxidation rate constant of acetoin and the concentration of nicotine salt in the atomizing matrix includes: Based on the nicotine salt concentration, the nicotine salt inhibition constant is determined from a preset database; The effective rate constant is calculated based on the intrinsic oxidation rate constant of acetoin, the concentration of nicotine salt, and the inhibition constant of nicotine salt. The preset database stores nicotine salt inhibition constants corresponding to different concentrations of nicotine salts.

[0008] In some embodiments, determining the effective rate constant based on the intrinsic oxidation rate constant of acetoin and the concentration of nicotine salt in the atomizing matrix includes: The nicotine salt inhibition constant is determined based on the intrinsic oxidation rate constant of acetoin and the concentration of nicotine salt. The effective rate constant is calculated based on the intrinsic oxidation rate constant of acetoin, the concentration of nicotine salt, and the inhibition constant of nicotine salt.

[0009] In some embodiments, the method further includes: Determine the intrinsic oxidation rate constant of acetoin under nicotine-free conditions, and the apparent rate constant of acetoin under the nicotine salt conditions at the nicotine salt concentration. Based on the intrinsic oxidation rate constant of acetoin and the apparent rate constant, the inhibition coefficient of the nicotine salt on the nicotine salt concentration of acetoin at the nicotine salt concentration is determined. The safe service life of the atomizing matrix is ​​analyzed based on the nicotine salt concentration inhibition coefficient.

[0010] In some embodiments, the atomizing matrix includes at least one nicotine salt, with each nicotine salt corresponding to a concentration; The step of determining the nicotine salt's inhibition coefficient on the nicotine salt concentration of acetoin at a given nicotine salt concentration, based on the intrinsic oxidation rate constant of acetoin and the apparent rate constant, includes: Based on the intrinsic oxidation rate constant of acetoin, calculate the inhibition coefficient corresponding to each nicotine salt; The nicotine salt concentration inhibition coefficient is determined based on the inhibition coefficient corresponding to each nicotine salt in the atomizing matrix.

[0011] This application also provides an electronic device, including a processor, a memory, and a computer program stored in the memory and capable of running on the processor, wherein when the computer program is executed by the processor, it implements the method for predicting the safe service life of the atomizing matrix as described above.

[0012] This application also provides a computer-readable storage medium storing a computer program that, when executed by a processor, implements the method for predicting the safe service life of the atomized matrix as described above.

[0013] This application has the following advantages: This application can determine the effective rate constant for the oxidation of acetoin to diacetyl; based on the effective rate constant and the initial concentration of acetoin in the atomizing matrix, it can determine the number of safe days before the concentration of diacetyl in the atomizing matrix reaches the diacetyl safety threshold. Compared to related technologies that require direct detection of the atomizing matrix to determine diacetyl, the embodiments of this application do not require manpower and resources for detection, but only need to make predictions based on simple, existing data, thus improving the efficiency of atomizing matrix detection and analysis. Attached Figure Description

[0014] To more clearly illustrate the technical solution of this application, the drawings used in the description of this application will be briefly introduced below. Obviously, the drawings described below are only some embodiments of this application. For those skilled in the art, other drawings can be obtained based on these drawings without creative effort.

[0015] Figure 1 This is a flowchart of the steps of a method for predicting the safe service life of an atomizing matrix provided in some embodiments of this application; Figure 2 This is a flowchart of the steps of a method for predicting the safe service life of an atomizing matrix provided in some embodiments of this application. Detailed Implementation

[0016] To make the above-mentioned objectives, features, and advantages of this application more apparent and understandable, the application will be further described in detail below with reference to the accompanying drawings and specific embodiments. Obviously, the described embodiments are only some, not all, of the embodiments of this application. All other embodiments obtained by those skilled in the art based on the embodiments of this application without inventive effort are within the scope of protection of this application.

[0017] In related technologies, diacetyl is closely associated with the respiratory disease "popcorn lung." International safety standards limit diacetyl in e-liquids; however, as e-liquids are stored in warehouses for longer periods, the diacetyl content may increase. To address this, this application provides a method for predicting the safe shelf life of an atomizing matrix. This method can analyze the number of safe days before the diacetyl concentration in the atomizing matrix (e.g., e-liquid) reaches the diacetyl safety threshold without measuring the stored matrix, thus providing effective early warning of shelf-life risks.

[0018] Reference Figure 1 The diagram illustrates a flowchart of a method for predicting the safe service life of an atomizing matrix according to some embodiments of this application, which may include the following steps: Step 101: Determine the effective rate constant for the oxidation of acetoin to diacetyl.

[0019] The atomizing matrix may include at least acetoin. Acetoin can atomize cream-flavored additives in the atomizing matrix.

[0020] In addition to acetoin, the atomizing matrix may also include other flavor additives; in addition to flavor additives, the atomizing matrix may also include propylene glycol, vegetable glycerin, flavorings, sweeteners, acidulants, deionized water, food colorings, etc.

[0021] In some embodiments, the atomizing matrix may further include nicotine salts, free nicotine bases, etc.; wherein, the nicotine salts may include one or more of nicotine benzoate, nicotine lactate, nicotine levulinate, nicotine malate, nicotine citrate, nicotine phthalate, nicotine o-hydroxybenzoate, nicotine oxalate, and nicotine para-acetaminobenzoate, and may also include other types of nicotine salts, which are not limited in this application embodiment.

[0022] In some embodiments, an effective rate constant for the conversion of acetoin to diacetyl via an oxidative dehydrogenation reaction can be determined first; this effective rate constant is used to determine the overall rate at which acetoin in the reaction atomization matrix is ​​oxidized to diacetyl.

[0023] For example, the effective rate constants corresponding to different nicotine salts at different concentrations can be determined in advance; then, after determining the type and concentration of nicotine salts in the atomizing matrix, the corresponding effective rate constants can be obtained to analyze the atomizing matrix.

[0024] In another example, the effective rate constants for the oxidation of acetoin to diacetyl in different atomizing matrices can be determined in advance; then, based on the atomizing matrices that need to be analyzed, the corresponding effective rate constants can be determined.

[0025] Step 102: Based on the effective rate constant and the initial concentration of acetoin in the atomizing matrix, determine the number of safe days before the concentration of diacetyl in the atomizing matrix reaches the diacetyl safety threshold.

[0026] In some embodiments, the initial concentration of acetoin in the atomizing matrix can also be obtained; the initial concentration of acetoin can be determined or measured during the preparation of the atomizing matrix. The unit of the initial concentration of acetoin can be mg / L or other units, and this application embodiment does not limit this.

[0027] After determining the effective rate constant and the initial concentration of acetoin, the number of safe days before the concentration of diacetyl in the atomizing matrix reaches the diacetyl safety threshold can be determined based on the initial concentration of acetoin and the effective rate constant.

[0028] For example, the number of safe days P can be calculated using the following formula: P=In[1-(C A / C 0) ] / K 1; Among them, C A This is the safety threshold for diacetyl, expressed in mg / L; it can be determined by obtaining the requirements of different countries and regions. C0 represents the initial concentration of acetoin in the atomizing matrix, in mg / L. K1 is the effective rate constant for the conversion of acetoin to diacetyl via oxidative dehydrogenation.

[0029] After determining the safe storage period, an effective early warning can be issued regarding the shelf-life risk of the atomized matrix. For example, an effective storage period for the atomized matrix can be set, and when it approaches its expiration date, an early warning can be issued to alert warehouse personnel that the atomized matrix may have excessive diacetyl levels. Compared to related technologies that require direct detection of the atomized matrix to determine diacetyl, this application eliminates the need for manpower and resources for detection, relying solely on simple, existing data for prediction, thus improving the efficiency of atomized matrix detection and analysis.

[0030] In this embodiment, the effective rate constant for the oxidation of acetoin to diacetyl can be determined. Based on the effective rate constant and the initial concentration of acetoin in the atomization matrix, the number of safe days before the concentration of diacetyl in the atomization matrix reaches the diacetyl safety threshold can be determined. Compared to related technologies that require direct detection of the atomization matrix to determine diacetyl, this embodiment eliminates the need for manpower and resources for detection, relying solely on simple, existing data for prediction, thus improving the efficiency of atomization matrix detection and analysis.

[0031] In some embodiments, when the atomizing matrix contains nicotine salt, the effective rate constant for obtaining the conversion of acetoin to diacetyl via oxidative dehydrogenation can be achieved through the following technical means.

[0032] Reference Figure 2 The diagram illustrates a flowchart of a method for predicting the safe service life of an atomizing matrix according to some embodiments of this application, which may include the following steps: Step 201: Determine the intrinsic oxidation rate constant of acetoin under nicotine-free conditions.

[0033] Among them, the intrinsic oxidation rate constant of acetoin can quantify the intrinsic oxidation rate of acetoin in the absence of nicotine salt; the intrinsic oxidation rate reflects the essential rate of the oxidation reaction between acetoin and the oxidant under the condition of excluding interference from non-intrinsic factors such as external mass transfer and interfacial diffusion.

[0034] In some embodiments, the intrinsic oxidation rate constant of acetoin under nicotine-free conditions can be determined in advance by experiments. For example, the intrinsic oxidation rate constant k of acetoin under nicotine-free conditions can be determined by the following formula: k=In(C0 / C t ) / t.

[0035] k is the intrinsic oxidation rate constant of acetoin, in days. -1 ; C0 represents the initial concentration of acetoin in the atomizing matrix, in mg / L. C t The concentration of acetoin in the atomizing matrix at time t is expressed in mg / L. t represents the number of days of accelerated aging, expressed in days.

[0036] The intrinsic oxidation rate constant of acetoin can be obtained experimentally from C0 and C2. t Then, the result is obtained through the above formula.

[0037] Step 202: Determine the effective rate constant based on the intrinsic oxidation rate constant of acetoin.

[0038] After determining the intrinsic oxidation rate constant, the effective rate constant for the oxidation of acetoin to diacetyl can be calculated based on the specific composition of the atomizing matrix and the intrinsic oxidation rate constant of acetoin.

[0039] In some embodiments of this application, the reaction of acetoin to diacetyl is affected by various factors, including pH, temperature, and nicotine salt content. Research results indicate that atomizing matrices containing nicotine salts (such as nicotine benzoate, pKa≈4.2) can maintain a weakly acidic environment, thereby inhibiting the oxidation reaction. The principle is that nicotine salts inhibit the formation of harmful substances through a dual mechanism: on the one hand, by lowering the environmental pH to reduce oxidation activity; on the other hand, benzoate ions can chelate with metal ions, eliminating potential catalytic impurities. Based on this, this application can predict the safe service life separately for atomizing matrices containing nicotine salts and those without.

[0040] In some embodiments, for atomizing matrices that do not contain nicotine salts, the intrinsic oxidation rate constant of acetoin can be directly used as the effective rate constant for subsequent steps.

[0041] In other embodiments, for atomizing matrices containing nicotine salts, the effective rate constant can be determined by the following method: The first method for determining the effective rate constant corresponding to an atomizing matrix containing nicotine salts: The effective rate constant is determined based on the intrinsic oxidation rate constant of acetoin and the concentration of nicotine salt in the atomizing matrix.

[0042] In some embodiments, different concentrations of nicotine salts have different inhibitory effects on the reaction of acetoin to diacetyl; based on this, the concentration of nicotine salts in the atomizing matrix can be determined first, and then the effective rate constant can be calculated based on the concentration and the intrinsic oxidation rate constant of acetoin.

[0043] For the first method, the effective rate constant can be determined based on the intrinsic oxidation rate constant of acetoin and the concentration of nicotine salts in the atomizing matrix through the following sub-steps: Sub-step 11: Determine the nicotine salt inhibition constant from a preset database based on the nicotine salt concentration; wherein, the preset database stores the nicotine salt inhibition constants corresponding to different nicotine salts of different concentrations.

[0044] In some embodiments, the nicotine salt inhibition constants for the oxidative dehydrogenation reaction of acetoin at different concentrations of different nicotine salts can be determined experimentally in advance, and these nicotine salt inhibition constants can be stored in a preset database. The nicotine salt inhibition constants can be used to represent the inhibitory ability of nicotine salts on the oxidative dehydrogenation reaction of acetoin.

[0045] After determining the type and concentration of nicotine salt in the atomizing matrix, a nicotine salt inhibition constant matching the nicotine salt in the atomizing matrix can be determined from a preset database.

[0046] Sub-step 12: Calculate the effective rate constant based on the intrinsic oxidation rate constant of acetoin, the nicotine salt concentration, and the nicotine salt inhibition constant.

[0047] After determining the nicotine salt inhibition constant and the intrinsic oxidation rate constant of acetoin, the effective rate constant for the oxidation of acetoin to diacetyl can be calculated based on the nicotine salt inhibition constant, the intrinsic oxidation rate constant of acetoin, and the concentration of nicotine salt in the atomizing matrix. For example, the effective rate constant K1 for the oxidation of acetoin to diacetyl can be calculated using the following formula: K1 = k - (K × C / C0); Where C is the molar concentration of nicotine salt; k is the intrinsic oxidation rate constant of acetoin; K is the inhibition constant of nicotine salt; and C0 is the initial concentration of acetoin.

[0048] For the first method, the effective rate constant can also be determined based on the intrinsic oxidation rate constant of acetoin and the concentration of nicotine salts in the atomizing matrix through the following sub-steps: Sub-step 21: Determine the nicotine salt inhibition constant based on the intrinsic oxidation rate constant of acetoin and the nicotine salt concentration.

[0049] In some embodiments, after determining the intrinsic oxidation rate constant of acetoin and the nicotine salt concentration, the nicotine salt inhibition constant of the nicotine salt in the atomizing matrix for inhibiting the oxidation of acetoin can be calculated based on the intrinsic oxidation rate constant of acetoin and the nicotine salt concentration.

[0050] For example, the predicted rate of diacetyl formation at any storage time (t) = acetoin spontaneous oxidation rate - nicotine salt inhibition effect, as shown in the following formula: W=d / dt=(k×C 1) -(K×C); Where d=C 后 -C 前 ; d represents the rate of change in diacetyl concentration in the presence of nicotine salt, in mg / L. C 前 The concentration of diacetyl at the previous time point, C 后 This refers to the diacetyl concentration at the next time point. For example, after soaking for 0 or 3 days, C... 前 The detection concentration of diacetyl at day 0, C 后 The detection concentration of diacetyl at 3 days; dt=d 后 -d 前 dt represents the rate of change over time, measured in days; d 前 d represents the rate of change in diacetyl concentration at the previous time point. 后 This represents the rate of change in diacetyl concentration at the previous time point; W represents the rate of change of diacetyl concentration over time (unit: mg / L / day) in the presence of nicotine salt, i.e., the rate of diacetyl formation at any storage time (t). C1 represents the concentration of acetoin at time t in the presence of nicotine salt, expressed in mg / L. k is the intrinsic oxidation rate constant of acetoin under nicotine-free conditions, in days-1. K is the nicotine salt inhibition constant of the nicotine salt in the atomization matrix, which inhibits the oxidation of acetoin, and the unit is mg / mol / day; C is the molar concentration of nicotine salt, in mol / L; C = (w × ρ × 10) / M, where w is the percentage content of nicotine salt, in %; ρ is the density of the atomizing matrix, in g / mL. The ρ of the atomizing matrix for nicotine benzoate is 1.153 g / mL, the ρ of the atomizing matrix for nicotine levulinate is 1.181 g / mL, and the ρ of the atomizing matrix for nicotine lactate is 1.175 g / mL. M represents the molecular weight of nicotine salt, expressed in g / mol. Nicotine benzoate M1 = 284 g / mol, nicotine levulinate M2 = 264 g / mol, nicotine lactate M3 = 252 g / mol. Through the derivation of the above formula, the final formula for calculating the nicotine salt inhibition constant K can be obtained as follows: K = {[(k×C1)-[(C 后 -C 前 ) / (d 后 -d 前 )]]×M} / (w×ρ×10。

[0051] Sub-step 22: Calculate the effective rate constant based on the intrinsic oxidation rate constant of acetoin, the nicotine salt concentration, and the nicotine salt inhibition constant.

[0052] After determining the nicotine salt inhibition constant and the intrinsic oxidation rate constant of acetoin, the effective rate constant for the oxidation of acetoin to diacetyl can be calculated based on the nicotine salt inhibition constant, the intrinsic oxidation rate constant of acetoin, and the concentration of nicotine salt in the atomizing matrix. For example, the effective rate constant K1 for the oxidation of acetoin to diacetyl can be calculated using the following formula: K1 = k - (K × C / C0); Where C is the molar concentration of nicotine salt; k is the intrinsic oxidation rate constant of acetoin; K is the inhibition constant of nicotine salt; and C0 is the initial concentration of acetoin in the atomizing matrix.

[0053] The second method for determining the effective rate constant corresponding to an atomizing matrix that does not contain nicotine salts: Based on the type and concentration of nicotine salt, the effective rate constant is determined from a preset database; the preset database stores the effective rate constants corresponding to different concentrations of different nicotine salts.

[0054] In some embodiments, the effective rate constants corresponding to different concentrations of nicotine salts can be stored in a preset database in advance.

[0055] Based on this, after determining the nicotine salt and its concentration in the atomizing matrix, an effective rate constant that matches the nicotine salt in the atomizing matrix and its concentration can be retrieved from a preset database based on the concentration of the nicotine salt.

[0056] Step 203: Based on the effective rate constant and the initial concentration of acetoin in the atomizing matrix, determine the number of safe days before the concentration of diacetyl in the atomizing matrix reaches the diacetyl safety threshold.

[0057] After determining the effective rate constant, the number of safe days before the concentration of diacetyl in the atomizing matrix reaches the diacetyl safety threshold can be calculated based on the effective rate constant and the initial concentration of acetoin in the atomizing matrix.

[0058] For example, the number of safe days P = ln[1 - (C A / C0)] / K1,K1=k-(K×C / C0); Based on this, the number of safe days P=-In[1-(C A / C0)] / [k-(K×C / C0)].

[0059] In this embodiment, the intrinsic oxidation rate constant of acetoin under nicotine-free conditions is determined; based on the intrinsic oxidation rate constant of acetoin, the effective rate constant is determined; and based on the effective rate constant and the initial concentration of acetoin in the atomizing matrix, the number of safe days before the concentration of diacetyl in the atomizing matrix reaches the diacetyl safety threshold is determined. Compared to related technologies that require direct detection of the atomizing matrix to determine diacetyl, this embodiment eliminates the need for manpower and resources for detection, relying solely on simple, existing data for prediction, thus improving the efficiency of atomizing matrix detection and analysis.

[0060] In some embodiments of this application, any of the above embodiments may further include the following steps: The intrinsic oxidation rate constant of acetoin under nicotine-free conditions and the apparent rate constant of acetoin under nicotine salt conditions with nicotine salt concentration were determined. Based on the intrinsic and apparent rate constants of acetoin, the nicotine salt concentration inhibition coefficient of nicotine salt on acetoin was determined. Based on the nicotine salt concentration inhibition coefficient, the safe service life of the atomizing matrix was analyzed.

[0061] To quantitatively describe the inhibitory effect of different types and concentrations of nicotine salts on the conversion of acetoin to diacetyl, and thus analyze the safe service life of the atomizing matrix, this application constructs nicotine salt concentration inhibition coefficients for different types and concentrations of nicotine salts. These nicotine salt concentration inhibition coefficients can be used to represent the inhibitory ability of different concentrations and types of nicotine salts on the conversion of acetoin to diacetyl.

[0062] In some embodiments, the intrinsic oxidation rate constant of acetoin under nicotine-free conditions and the apparent rate constant of acetoin under nicotine salt conditions with corresponding nicotine salt concentrations can be determined first; the specific determination method can be referred to the foregoing embodiments.

[0063] After determining the intrinsic oxidation rate constant of acetoin under nicotine-free conditions and the apparent rate constant of acetoin under nicotine salt conditions, the nicotine salt concentration inhibition coefficient of the nicotine salt in the atomizing matrix on the acetoin concentration in the atomizing matrix can be determined based on the intrinsic oxidation rate constant and the apparent rate constant of acetoin.

[0064] For example, the nicotine salt concentration inhibition coefficient β can be calculated using the following formula: β = -In(k1 / k) / C; Where C is the nicotine salt concentration in the atomizing matrix, k1 is the apparent rate constant, and k is the intrinsic oxidation rate constant of acetoin.

[0065] k1 can be calculated using the following formula: k1=In(C 0` / C t` ) / t; C 0` The initial concentration of acetoin in the atomizing matrix in the presence of nicotine salts is expressed in mg / L. C t` The concentration of acetoin in the atomizing matrix at time t in the presence of nicotine salts is expressed in mg / L. t represents the number of days of accelerated aging, expressed in days.

[0066] In some embodiments of this application, the atomizing matrix includes multiple nicotine salts, with each nicotine salt corresponding to a specific concentration; the determination of the nicotine salt concentration inhibition coefficient can be performed through the following sub-steps: Sub-step 31: Calculate the inhibition coefficient corresponding to each nicotine salt based on the intrinsic oxidation rate constant of acetoin.

[0067] In some embodiments, the atomizing matrix may include a variety of nicotine salts, and one nicotine salt may correspond to one concentration; for example, the concentrations of the various nicotine salts may be the same or different, and the embodiments of this application do not limit this.

[0068] When determining the inhibition coefficient of nicotine salt concentration, the inhibition coefficient β corresponding to each nicotine salt can be calculated first based on the intrinsic oxidation rate constant of acetoin. i For example, β can be calculated using the following formula. i : β i ={-In[In(C 0` / C t` ) / (k×t)]×M} / (w×ρ×10); Among them, C 0` The initial concentration of acetoin in the atomizing matrix in the presence of nicotine salts is expressed in mg / L. C t` The concentration of acetoin in the atomizing matrix at time t in the presence of nicotine salts is expressed in mg / L. t represents the number of days of accelerated aging, in days; k is the intrinsic oxidation rate constant of acetoin; M is the molecular weight of nicotine salt; w represents the percentage content of nicotine salts in the atomizing matrix; ρ is the density of the atomizing matrix.

[0069] Sub-step 32: Determine the nicotine salt concentration inhibition coefficient based on the inhibition coefficient corresponding to each nicotine salt in the atomization matrix.

[0070] After obtaining the inhibition coefficients of each nicotine salt in the atomizing matrix, the nicotine salt concentration inhibition coefficient β can be determined based on the inhibition coefficients; for example, β can be calculated using the following formula: β=[(β1×X1)+(β2×X2)+(β3×X3)+...+(β n ×X n) ] / (X1+X2+X3+...+X n ); Among them, X iThese are weighting coefficients for different nicotine salt concentrations, primarily used for coefficient allocation under different nicotine salt concentrations, and are dimensionless.

[0071] X i =1 / δ 2 Wherein, δ is the standard error of detection, that is, the standard error value for calculating different nicotine salt concentrations; for example, the δ corresponding to 1% nicotine salt concentration is 0.5, the δ corresponding to 2% nicotine salt concentration is 0.4, and the δ corresponding to 3% nicotine salt concentration is 0.6.

[0072] For example, when solving for the nicotine salt concentration inhibition coefficient, k1=In(C 0` / C t` Substituting ) / t into β=-In(k1 / k) / C, we can solve for the nicotine salt concentration inhibition coefficient.

[0073] After determining the nicotine salt concentration inhibition coefficient, the atomizing matrix can be analyzed based on the nicotine salt concentration inhibition coefficient to determine the inhibitory ability of the atomizing matrix on the oxidation reaction of acetoin based on the nicotine salt it contains; based on the nicotine salt concentration inhibition coefficient corresponding to the nicotine salt contained in the atomizing matrix, the safe service life of the atomizing matrix can be roughly analyzed.

[0074] In this application, an intrinsic oxidation rate constant for acetoin is proposed to quantify the conversion effect of acetoin under nicotine-free conditions. Furthermore, regarding the inhibitory effect of different concentrations of nicotine salt on the conversion of acetoin to diacetyl, a nicotine salt concentration inhibition coefficient and a nicotine salt inhibition constant are proposed to construct a quantitative description of the inhibition effect.

[0075] Furthermore, this application constructs a calculation equation for the safe days of diacetyl by converting the nicotine salt inhibition constant with the effective rate constant of the acetoin reaction. By calculating the safe days of the product, it accurately determines whether diacetyl exceeds the limit, providing a safe basis for product shipment and sales.

[0076] The following section uses e-liquid, which uses e-cigarette liquid as its atomizing matrix, as an example to further explain the method for predicting the safe service life of the aforementioned atomizing matrix: 1. Determination of the intrinsic oxidation rate constant of acetoin under nicotine-free conditions: Prepare 10 mL of the following e-liquid formula A (blank control group): 50% PG (mass ratio), 48% VG, 2% free nicotine. Vortex mix for 1 minute, let stand to defoam, then place in a 10 mL brown headspace bottle, fill with nitrogen, seal and mark as 0. Prepare 200 mL of the following e-liquid formula B (sample group): 50% PG, 48% VG, 2% free nicotine, 1000 mg / L acetoin. Vortex mix for 1 minute, let stand to defoam, then dispense 10 mL into 12 different brown headspace bottles, fill with nitrogen and seal, and label them as 1-1, 1-2, 2-1, 2-2...6-1, 6-2.

[0077] Eleven headspace vials (0-5-2) prepared above were placed in a 60℃ incubator for accelerated aging. Samples were taken at corresponding time points, and the residual acetoin and the amount of 2,3-butanedione produced were detected by GC-MS, as shown in Table 1. Table 1: GC-MS Instrument Conditions

[0078] Table 2: Acetoin residues and 2,3-butanedione formation in accelerated aging tests

[0079] Based on the results of the accelerated aging experiment and the above k-value formula, we can derive In(C0 / C t =kt, therefore, with t as the x-axis, In(C0 / C t Plotting a linear curve with α as the ordinate, we obtain the intrinsic oxidation rate constant of acetoin = 0.0344 days. -1 .

[0080] 2. Determination of nicotine salt concentration inhibition coefficient and nicotine salt concentration inhibition constant K: Prepare the e-liquid formula according to Table 3. Perform 3 parallel groups for each nicotine salt concentration group. Add 1000 mg / L acetoin to all groups and label them. Vortex mix for 1 minute and let stand to defoam. Then, put them into brown headspace bottles, fill with nitrogen and seal. Place them in a 60℃ constant temperature oven to accelerate aging. Take samples at 0, 7, 14, 21 and 28 days to detect the acetoin residue and the amount of 2,3-butanedione generated.

[0081] Table 3: Nicotine Salt Concentration Inhibition Coefficient E-liquid Formulation Table

[0082] Table 4: Acetaminophen residue and 2,3-butanedione formation in accelerated aging test of nicotine benzoate salts

[0083] Based on the above acetoin residue detection values ​​and the known e-liquid density ρ of 1.153 g / mL, and the molecular weight of nicotine benzoate salt M = 284.4 g / mol, it should be noted that the blank control group did not detect any acetoin, and this will not be reflected in subsequent salts. Furthermore, the acetoin residue detection value at day 0 showed little change and was therefore meaningless and not included in the calculation. Thus, the β values ​​for different contents of nicotine benzoate salt were finally calculated, as shown in Table 5. Table 5: Inhibition coefficient of benzoate nicotine salt concentration

[0084] Based on the β values ​​of the nicotine benzoate salts with different contents mentioned above, the final β value of the nicotine benzoate salt was calculated. β=[(β1×X1)+(β2×X2)+(β3×X3)] / (X1+X2+X3)=[(9.0526×4)+(9.0650×6.25)+(9 .0810×2.78)] / (4.0+6.25+2.78)=(36.210+56.656+25.245) / 13.03=9.06L / mol.

[0085] Table 6: Inhibition Constant K of 1% Nicotine Benzoate Concentration

[0086] Table 7: Inhibition constant K of 2% benzoate nicotine salt concentration

[0087] Table 8: Inhibition constant K of 3% benzoate nicotine salt concentration

[0088] Based on the above results, with the molar concentration of nicotine benzoate as the X-axis and K value as the Y-axis, a linear equation was established between different concentrations of nicotine benzoate and K: K = 2988.8C + 210.86. Finally, the K value can be calculated from the molar concentration of nicotine benzoate for the following calculations.

[0089] Table 9: Acetaminophen residue and 2,3-butanedione formation in accelerated aging test of nicotine levulinate.

[0090] Based on the above acetoin residue test values ​​and the known e-liquid density ρ of 1.181 g / mL, and the molecular weight of nicotine levulinate M = 264 g / mol, the β values ​​for different contents of nicotine levulinate were finally calculated, as shown in Table 7 below: Table 10: Nicotine levulinate concentration inhibition coefficient

[0091] Based on the β values ​​of the different contents of nicotine levulinate mentioned above, the β value of the final nicotine levulinate salt is calculated. β=[(β1 ×

[0092] Table 11: Inhibition constant K at 1% nicotine levulinate concentration

[0093] Table 12: Inhibition constant K at 2% acetylpropionate Nicotine salt concentration

[0094] Table 13: Inhibition constant K at 3% acetylpropionate Nicotine salt concentration

[0095] Based on the above results, a linear equation was established between different concentrations of nicotine levulinate and K, with the molar concentration of nicotine levulinate as the X-axis and K value as the Y-axis: K = 2838.1C + 257.28. The K value can then be calculated from the molar concentration of nicotine levulinate for the following calculations.

[0096] Table 14: Acetaminophen residue and 2,3-butanedione production in accelerated aging test of lactic acid nicotine salt

[0097] Based on the above acetoin residue test values ​​and the known e-liquid density ρ of 1.175 g / mL, and the molecular weight of lactic acid nicotine salt M = 252 g / mol, the β values ​​for different contents of lactic acid nicotine salt were finally calculated, as shown in Table 15 below: Table 15 Inhibition coefficient of lactic acid nicotine salt concentration

[0098] Based on the β values ​​of different lactic acid nicotine contents mentioned above, the β value of the final lactic acid nicotine salt is calculated. β=[(β1 ×

[0099] Table 16: Inhibition Constant K at 1% Lactate Nicotine Concentration

[0100] Table 17: Inhibition Constant K at 2% Lactate Nicotine Concentration

[0101] Table 18: Inhibition Constant K at 3% Lactate Nicotine Concentration

[0102] Based on the above results, a linear equation was established between different concentrations of lactic acid nicotine salt and K, with the molar concentration of lactic acid nicotine salt as the X-axis and K value as the Y-axis: K = 2037C + 190.34. Finally, the K value can be calculated from the molar concentration of lactic acid nicotine salt for the following calculations.

[0103] Based on the above results, the equations for β and K values ​​of nicotine benzoate, nicotine levulinate, and nicotine lactate are shown in Table 19: Table 19:

[0104] Two e-liquid samples containing 1% benzoic acid nicotine salt were randomly selected from the stored inventory: Pink Lemonade and Cream Tobacco. It is known that Pink Lemonade does not contain acetoin, while Cream Tobacco contains 0.5 mg / mL of acetoin. The limit for 2,3-butanedione is 20 mg / L.

[0105] The density of the butter tobacco e-liquid was measured to be 1.135 g / mL. The molar concentration of 1% nicotine benzoate salt was C = 0.0400 mol / L, k = 0.0344 day-1, and K = 2988.8C + 210.86 = 330.307 mg / mol / day.

[0106] Safety days P = -In[1 - (C A / C0)] / [k-(K×C / C0)]=-In(1-0.04)( / 0.0344-0.0264)=5.10day, which means that according to the result, the 2,3-butanedione of the Cream Tobacco e-liquid will exceed the limit of 20mg / L after 5 days of storage.

[0107] Samples were taken at the following three time points for instrumental analysis to detect acetoin residues and 2,3-butanedione formation. The results are shown in Table 20. Table 20:

[0108] The test results show that after 5 days of storage, the 2,3-butanedione content in the creamy tobacco flavor was 19.3 mg / L, close to the limit. This almost matches the safe shelf life calculated using the formula, meaning the limit was exceeded after approximately 5.10 days. Therefore, controlling the shelf life safety period of the product to within 5 days can effectively prevent subsequent risks caused by excessive levels of prohibited substances.

[0109] Randomly select a sample of e-liquid containing 1% nicotine levulinate from the stock, which is strawberry cheesecake. It is known that strawberry cheesecake contains 0.5 mg / mL acetoin, and the limit for 2,3-butanedione is 20 mg / L.

[0110] The density of the strawberry cheesecake e-liquid was measured to be 1.128 g / mL. The molar concentration of 1% nicotine levulinic acid salt was C = 0.0427 mol / L, k = 0.0344 day-1, and K = 2838.1C + 257.28 = 378.544 mg / mol / day.

[0111] Safety days P = -In[1 - (C A / C0)] / [k-(K×C / C0)]=-In(1-0.04)( / 0.0344-0.0020)=19.90day, which means that according to the result, the 2,3-butanedione of the Strawberry Cheesecake e-liquid will exceed the limit of 20mg / L after 19.90 days of storage.

[0112] Samples were taken at the following five time points for instrumental analysis to detect acetoin residues and 2,3-butanedione formation. The results are shown in Table 21. Table 21:

[0113] The test results showed that after 19 days of storage, the 2,3-butanedione content in the strawberry cheesecake flavor was 18.9 mg / L, close to the limit. However, after 21 days of storage, the 2,3-butanedione content was 25.3 mg / L, exceeding the limit. This almost perfectly matches the calculated safe shelf life of 19.90 days. Therefore, controlling the product's shelf life safety days to within 19 days can effectively prevent subsequent risks caused by excessive levels of prohibited substances.

[0114] In summary, comparing the two e-liquids containing acetoin, both with a nicotine salt concentration of 1%, the e-liquid containing acetopropionic acid has a longer safe period than the e-liquid containing benzoic acid. This is related to the previously calculated nicotine salt inhibition coefficients β and K: acetopropionic acid β = 12.83 L / mol, K = 378.544 mg / mol / day; benzoic acid β = 9.06 L / mol, K = 330.307 mg / mol / day. The nicotine salt inhibition coefficient β determines the ability of organic acids to bind free nicotine. The higher the β, the lower the free nicotine content and the slower the reaction. K, the nicotine salt inhibition constant, determines the amount of acetoin conversion inhibited per mole of nicotine salt per day. The larger the K, the stronger the inhibition effect, the weaker the acetoin conversion reaction, the less 2,3-butanedione is produced, and the longer the safe period.

[0115] It should be noted that, for the sake of simplicity, the method embodiments are all described as a series of actions. However, those skilled in the art should understand that the embodiments of this application are not limited to the described order of actions, because according to the embodiments of this application, some steps can be performed in other orders or simultaneously. Secondly, those skilled in the art should also understand that the embodiments described in the specification are all preferred embodiments, and the actions involved are not necessarily required by the embodiments of this application.

[0116] Some embodiments of this application also provide an electronic device, including a processor, a memory, and a computer program stored in the memory and capable of running on the processor. When the computer program is executed by the processor, it implements the above-described method for predicting the safe service life of the atomizing matrix.

[0117] Some embodiments of this application also provide a computer-readable storage medium storing a computer program, which, when executed by a processor, implements the above-described method for predicting the safe service life of an atomizing matrix.

[0118] As the device embodiment is basically similar to the method embodiment, the description is relatively simple, and relevant parts can be found in the description of the method embodiment.

[0119] The various embodiments in this specification are described in a progressive manner, with each embodiment focusing on the differences from other embodiments. The same or similar parts between the various embodiments can be referred to each other.

[0120] Those skilled in the art will understand that embodiments of this application can be provided as methods, apparatus, or computer program products. Therefore, embodiments of this application can take the form of entirely hardware embodiments, entirely software embodiments, or embodiments combining software and hardware aspects. Furthermore, embodiments of this application can take the form of computer program products implemented on one or more computer-usable storage media (including but not limited to disk storage, CD-ROM, optical storage, etc.) containing computer-usable program code.

[0121] This application describes embodiments with reference to flowchart illustrations and / or block diagrams of methods, terminal devices (systems), and computer program products according to embodiments of this application. It should be understood that each block of the flowchart illustrations and / or block diagrams, and combinations of blocks in the flowchart illustrations and / or block diagrams, can be implemented by computer program instructions. These computer program instructions can be provided to a processor of a general-purpose computer, special-purpose computer, embedded processor, or other programmable data processing terminal device to produce a machine, such that the instructions, which execute via the processor of the computer or other programmable data processing terminal device, generate instructions for implementing the flowchart illustrations. Figure 1 One or more processes and / or boxes Figure 1 A device that provides the functions specified in one or more boxes.

[0122] These computer program instructions may also be stored in a computer-readable storage medium that can direct a computer or other programmable data processing terminal device to operate in a particular manner, such that the instructions stored in the computer-readable storage medium produce an article of manufacture including instruction means, which are implemented in a process Figure 1 One or more processes and / or boxes Figure 1 The function specified in one or more boxes.

[0123] These computer program instructions can also be loaded onto a computer or other programmable data processing terminal equipment, causing a series of operational steps to be performed on the computer or other programmable terminal equipment to produce a computer-implemented process, thereby providing instructions that execute on the computer or other programmable terminal equipment for implementing the process. Figure 1 One or more processes and / or boxes Figure 1 The steps of the function specified in one or more boxes.

[0124] Although preferred embodiments of the present application have been described, those skilled in the art, upon learning the basic inventive concept, can make other changes and modifications to these embodiments. Therefore, the appended claims are intended to be interpreted as including the preferred embodiments as well as all changes and modifications falling within the scope of the embodiments of the present application.

[0125] Finally, it should be noted that in this document, relational terms such as "first" and "second" are used only to distinguish one entity or operation from another, and do not necessarily require or imply any such actual relationship or order between these entities or operations. Furthermore, the terms "comprising," "including," or any other variations thereof are intended to cover non-exclusive inclusion, such that a process, method, article, or terminal device that comprises a list of elements includes not only those elements but also other elements not expressly listed, or elements inherent to such a process, method, article, or terminal device. Without further limitations, an element defined by the phrase "comprising one..." does not exclude the presence of other identical elements in the process, method, article, or terminal device that includes said element.

[0126] The above provides a detailed description of the method, equipment, and medium for predicting the safe service life of an atomizing matrix. Specific examples have been used to illustrate the principles and implementation methods of this application. The descriptions of the above embodiments are only for the purpose of helping to understand the method and core ideas of this application. At the same time, for those skilled in the art, there will be changes in the specific implementation methods and application scope based on the ideas of this application. Therefore, the content of this specification should not be construed as a limitation of this application.

Claims

1. A method for predicting the safe service life of an atomizing matrix, used to predict the number of safe service days of an atomizing matrix containing acetoin, characterized in that, The method includes: Determine the effective rate constant for the oxidation of acetoin to diacetyl; Based on the effective rate constant and the initial concentration of acetoin in the atomizing matrix, determine the number of safe days before the concentration of diacetyl in the atomizing matrix reaches the diacetyl safety threshold.

2. The method according to claim 1, characterized in that, Determining the effective rate constant for the oxidation of acetoin to diacetyl includes: Determine the intrinsic oxidation rate constant of acetoin under nicotine-free conditions; The effective rate constant is determined based on the intrinsic oxidation rate constant of acetoin.

3. The method according to claim 2, characterized in that, The atomizing matrix further includes nicotine salt, and determining the effective rate constant based on the intrinsic oxidation rate constant of acetoin includes: The effective rate constant is determined based on the intrinsic oxidation rate constant of acetoin and the concentration of nicotine salt in the atomizing matrix.

4. The method according to claim 1, characterized in that, The atomizing matrix further includes nicotine salt, and determining the effective rate constant of the acetoin to diacetyl oxidation includes: The effective rate constant is determined from a preset database based on the type and concentration of the nicotine salt. The preset database stores the effective rate constants corresponding to different concentrations of nicotine salts.

5. The method according to claim 3, characterized in that, The determination of the effective rate constant based on the intrinsic oxidation rate constant of acetoin and the concentration of nicotine salt in the atomizing matrix includes: Based on the nicotine salt concentration, the nicotine salt inhibition constant is determined from a preset database; The effective rate constant is calculated based on the intrinsic oxidation rate constant of acetoin, the concentration of nicotine salt, and the inhibition constant of nicotine salt. The preset database stores nicotine salt inhibition constants corresponding to different concentrations of nicotine salts.

6. The method according to claim 3, characterized in that, The determination of the effective rate constant based on the intrinsic oxidation rate constant of acetoin and the concentration of nicotine salt in the atomizing matrix includes: The nicotine salt inhibition constant is determined based on the intrinsic oxidation rate constant of acetoin and the concentration of nicotine salt. The effective rate constant is calculated based on the intrinsic oxidation rate constant of acetoin, the concentration of nicotine salt, and the inhibition constant of nicotine salt.

7. The method according to claim 1, characterized in that, The method further includes: Determine the intrinsic oxidation rate constant of acetoin under nicotine-free conditions, and the apparent rate constant of acetoin under the nicotine salt conditions at the nicotine salt concentration. Based on the intrinsic oxidation rate constant of acetoin and the apparent rate constant, the inhibition coefficient of the nicotine salt on the nicotine salt concentration of acetoin at the nicotine salt concentration is determined. The safe service life of the atomizing matrix is ​​analyzed based on the nicotine salt concentration inhibition coefficient.

8. The method according to claim 7, characterized in that, The atomizing matrix includes at least one nicotine salt, with each nicotine salt corresponding to a specific concentration; The step of determining the nicotine salt's inhibition coefficient on the nicotine salt concentration of acetoin at a given nicotine salt concentration, based on the intrinsic oxidation rate constant of acetoin and the apparent rate constant, includes: Based on the intrinsic oxidation rate constant of acetoin, calculate the inhibition coefficient corresponding to each nicotine salt; The nicotine salt concentration inhibition coefficient is determined based on the inhibition coefficient corresponding to each nicotine salt in the atomizing matrix.

9. An electronic device, characterized in that, It includes a processor, a memory, and a computer program stored in the memory and capable of running on the processor, wherein the computer program, when executed by the processor, implements a method for predicting the safe service life of the atomizing matrix as described in any one of claims 1 to 8.

10. A computer-readable storage medium, characterized in that, A computer program is stored on the computer-readable storage medium, which, when executed by a processor, implements a method for predicting the safe service life of the atomizing matrix as described in any one of claims 1 to 8.

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