A method for qualitatively predicting the flotation performance of collectors based on TC-FI

Abstract

The present invention belongs to the field of flotation, and specifically relates to a method for qualitatively predicting the flotation performance of collectors based on TC-FI. More than 5 known typical collectors are selected, density functional calculations are performed on each typical collector, and the total charge TC of each typical collector is calculated through formula 1 (TC = chrg ‑1 +chrg ‑2 ): The relative recovery rate Rr and the recovery rate difference ΔR of each typical collector are calculated respectively, and the flotation index FI of each typical collector is calculated through formula 2 #imgabs0#. Based on the flotation index FI as the vertical scale and TC as the horizontal scale, an evaluation scale grid is constructed; the collector to be predicted is subjected to density functional calculation, and its TC is calculated based on formula 1. Subsequently, according to the calculated value of TC, comparison is carried out using the evaluation scale grid constructed in step (a) to qualitatively predict its flotation performance. The method of the present invention, based on the evaluation grid jointly constructed by TC and FI, can efficiently and accurately predict the collecting performance of collectors.

Description

Technical Field

[0001] The present invention belongs to the field of mineral flotation, and particularly relates to the field of rapid qualitative prediction of collectors. Background Art

[0002] In the field of mineral flotation, the traditional development methods of flotation collectors mainly rely on empirical rules and trial-and-error methods, which are time-consuming, costly, and inefficient. With the development of algorithms, the first progress in the development of flotation collectors has been made, that is, using molecular mechanics and density functional theory to establish design criteria for flotation collectors. The above two types of methods have significantly improved the development efficiency of flotation collectors, but there are still some deficiencies. For example, the molecular mechanics method ignores the electron-related effects and overly relies on parameterized algorithms. Most of the molecular mechanics methods are not applicable to chemical reactions involving electron transfer or the formation of covalent bonds or coordination bonds by atomic orbital overlap. The density functional theory can directly describe electrons and can calculate the electronic energy of the system more accurately. However, at present, the prediction method based on the density functional theory is time-consuming and relatively expensive compared with the molecular mechanics method. It can be seen that the current evaluation methods for the flotation behavior of collectors are very limited and highly dependent on actual flotation tests, which are not only time-consuming but also consume a lot of manpower and material resources. Therefore, it is of great significance to develop a faster and more efficient molecular prediction method and evaluation system for flotation collectors. Summary of the Invention

[0003] The purpose of the present invention is to provide a method for qualitatively predicting the flotation performance of collectors based on TC-FI, aiming to quickly and accurately predict the collecting performance of collectors.

[0004] A method for qualitatively predicting the flotation performance of collectors based on TC-FI, the steps include:

[0005] Step (a):

[0006] Select more than 5 known typical collectors, perform density functional calculations on each typical collector, and calculate the total charge TC of each typical collector through formula 1:

[0007] TC = chrg -1 + chrg -2 Formula 1;

[0008] Wherein, chrg -1 is the charge carried by the atom with the most negative charge of each typical collector, and chrg -2 is the charge carried by the atom with the second most negative charge of each typical collector;

[0009] Calculate the relative recovery rate Rr and the recovery rate difference ΔR of each typical collector respectively, and calculate the flotation index FI of each typical collector through formula 2,

[0010]

[0011] The relative recovery rate Rr is the flotation recovery rate of the target mineral by each typical collector minus the natural floating rate of the target mineral.

[0012] The recovery rate difference ΔR is the flotation recovery rate of the target mineral by each typical collector minus the recovery rate of gangue minerals.

[0013] Based on the flotation index FI as the vertical scale and TC as the horizontal scale, an evaluation scale grid is constructed.

[0014] Step (b):

[0015] Perform density functional calculations on the collector to be predicted, calculate its TC based on Formula 1, and then compare it with the evaluation scale grid constructed in step (a) according to the calculated value of TC to qualitatively predict its flotation performance.

[0016] The present invention provides a method for quickly and accurately predicting the flotation performance of collectors, which combines the TC calculated based on Formula 1 and the FI calculated based on Formula 2 to quickly and qualitatively predict the collector performance of compounds.

[0017] In the present invention, the combination of the evaluation scale grids of TC of Formula 1 and FI of Formula 2 is the key to efficiently and accurately predicting the flotation performance of unknown collectors.

[0018] In the present invention, it has excellent universality for different mineral systems.

[0019] For example, the target ore is a sulfide ore or an oxide ore;

[0020] Preferably, the sulfide ore is at least one of pyrite, chalcopyrite, galena, sphalerite, marmatite, molybdenite, and chalcocite;

[0021] Preferably, the oxide ore is at least one of fluorite, calcite, scheelite, and wolframite.

[0022] The gangue minerals are the minerals that need to be separated from the target ore.

[0023] Preferably, in the present invention, the mineral system containing the target ore - gangue ore includes but is not limited to lead - iron sulfide ore, copper - iron sulfide ore, lead - zinc sulfide ore, copper - molybdenum sulfide ore, copper - iron - lead sulfide ore, copper - molybdenum - lead sulfide ore, lead - zinc - iron sulfide ore, copper - lead - zinc - iron sulfide ore, or lead - zinc - iron - copper - molybdenum sulfide ore.

[0024] In the present invention, the typical collectors are known and typical collectors used for the flotation of the target ore.

[0025] Preferably, the typical collector at least comprises an ionic collector and a non-ionic collector;

[0026] Preferably, the ionic collector includes at least one of a strong anionic collector and a weak anionic collector;

[0027] The non-ionic collector includes at least one of a heteroatom-containing non-ionic collector and a heterocyclic non-ionic collector.

[0028] In the present invention, in order to improve the accuracy of prediction, the number of categories of the selected typical collectors is preferably greater than or equal to 2. Among them, those with the same binding functional group or parent nucleus belong to the same category.

[0029] Preferably, the number of categories of collectors is preferably 3 to 10.

[0030] Preferably, when the target ore is a sulfide ore, the typical collector at least comprises more than 5 compounds among xanthate collectors, dithiophosphate collectors, and mercaptan collectors;

[0031] When the target ore is an oxidized ore, the typical collector at least comprises more than 5 compounds among oleic acid collectors, linoleic acid collectors, and hydroxamic acid collectors.

[0032] In the present invention, in order to improve the evaluation accuracy, the more the number of typical collectors, the better.

[0033] Considering the evaluation accuracy and calculation efficiency, preferably, the number of compounds of the selected typical collectors is greater than or equal to 10. Preferably, the number of collectors selected for each type of collector is greater than or equal to 3.

[0034] By flotation method, the relative recovery rate Rr and the recovery rate difference ΔR of each typical collector for the ore containing the target ore gangue are obtained.

[0035] Preferably, the conditions in the FI stage of the flotation calculation of each typical collector are close or the same.

[0036] Preferably, in the flotation stage, the dosage ratio of each typical collector is less than or equal to 5 times; preferably less than or equal to 2 times, and further preferably 0.95 to 1.05 times.

[0037] In the present invention, the dosages of each typical collector are respectively 1×10 -6 mol / L to 1×10 -2 mol / L, preferably 1×10 -5 mol / L to 1×10 -3 mol / L; further preferably 1×10 --4 to 4×10 --4 mol / L.

[0038] In the flotation system, a foaming agent is also added, and the foaming agent is at least one of terpineol, cresylic acid, heavy pyridine, methyl isobutyl carbinol, eucalyptus oil, camphor oil, higher alcohols and synthetic foaming agents;

[0039] Preferably, in the flotation stage, the dosage ratio of the foaming agent is less than or equal to 5 times; preferably less than or equal to 2 times, and further preferably 0.95 - 1.05 times.

[0040] Preferably, in the flotation system, the dosage of the foaming agent is 1×10 -7 mol / L - 1×10 -3 mol / L, preferably 1×10 -6 mol / L - 1×10 -5 mol / L;

[0041] Preferably, the pH in the flotation stage is close to or the same.

[0042] Preferably, the pH in the flotation stage is all in the pHa region, or all in the pHb region; or all in the pHc region;

[0043] Among them, the pH of the pHa region is less than 5; the pH of the pHb region is 5 - 9; the pH of the pHc region is greater than 9. Preferably, the pH of the flotation of each reference and the compound to be evaluated is in the same flotation pH region, and the difference is less than or equal to 2;

[0044] Preferably, the flotation pH of each reference collector is the same.

[0045] Preferably, the flotation conditions for calculating the respective FI of each typical collector are the same.

[0046] In the present invention, the natural floating rate (recovery rate) of the target ore refers to the recovery rate of the target ore without adding each reference collector and only containing an equal amount of foaming agent.

[0047] In the present invention, through the operation of FI, it is further innovatively combined with TC. Based on the good FI-TC correspondence relationship between the two, the flotation performance can be efficiently and qualitatively predicted through the simple TC operation of the compound itself.

[0048] In the present invention, with FI as the abscissa and TC as the ordinate, an evaluation scale grid is constructed, where the coordinate of the intersection of the abscissa and the ordinate is (-1, 30%).

[0049] In the present invention, the evaluation grid is, for example: the grid area with FI of 30% to 40% and TC of -1 to -0.8 is the area with medium flotation performance. The grid area with FI of 40% to 50% and TC of -0.8 to -0.6 is the area with good flotation performance. The grid area with FI greater than 50% and TC greater than -0.6 is the area with excellent flotation performance; the grid area with FI greater than 30% and TC less than -1 is the area with poor flotation performance.

[0050] In the present invention, based on the above qualitative grid and simple TC operation, the flotation performance area of the collector to be evaluated can be predicted. For example: through the calculated TC and the evaluation scale grid, the flotation performance of the collector to be predicted with the TC value < -1 in step (b) is qualitatively determined as poor, the flotation performance of the collector to be predicted with the TC value greater than -1 and less than or equal to -0.8 in step (b) is qualitatively determined as medium; the flotation performance of the collector to be predicted with the TC value greater than -0.8 and less than or equal to -0.6 in step (b) is qualitatively determined as good, and the flotation performance of the collector to be predicted with the TC value greater than -0.6 in step (b) is qualitatively determined as excellent.

[0051] In the present invention, it further includes a verification step (c): using the collector to be predicted to conduct flotation on the target ore and gangue ore, calculating the actual flotation index FI based on Formula 1 according to the actual flotation data, and verifying the prediction result by comparing the flotation index of the actual flotation with the calculated flotation index.

[0052] In the present invention, when calculating the Rr and the recovery rate difference ΔR of the collector to be evaluated during flotation verification, the flotation conditions are preferably close to or the same as those when calculating Rr and ΔR for the typical collector.

[0053] A preferred qualitative prediction and evaluation method of the present invention includes the following steps:

[0054] Step 1: Calculate the relative recovery rate Rr (the difference between the absolute recovery rate and the natural floatability) of a variety of representative collectors for the target mineral and the recovery rate difference ΔR between the target mineral and the gangue mineral in the selected flotation separation system, so as to quantify the collecting ability and selectivity of the collector respectively, and establish a new flotation index (Flotation Index: FI) through the formula Step 2: Conduct simple property calculations on the above collector molecules. The main calculated properties include: volume (Volume), molecular polarity index (MPI), the charge (chrg

[0055] ) carried by the atom with the most negative charge, the charge (chrg -1 ) carried by the second most negatively charged atom, and the total charge (TC = chrg -2 ) -1+chrg -2 )。

[0056] Step 3 Correlate the above property parameters with the flotation index (FI) to establish an evaluation scale grid;

[0057] Step 4 Calculate the relevant property parameters of the new collector to be predicted, and corresponding to the established evaluation scale grid, quickly and conveniently evaluate the flotation index of the new collector for the target mineral;

[0058] Step 5 Verify the prediction results by actual flotation tests, including but not limited to single mineral flotation tests, mixed ore flotation tests, actual ore flotation tests, and (semi-)industrial experiments;

[0059] Step 6 Combine other property parameters to judge the improvement direction of the collector molecules of this type, and guide the next pharmaceutical development research.

[0060] Among them, the calculations involved in Steps 1 to 4 are carried out by Gaussian calculation software, specifically Gaussian 16 (MN15 / def2-TZVP).

[0061] In the present invention, there are limitations on the types of representative flotation collector molecules described in Step 1, which should include both ionic collectors and non-ionic collectors; preferably, include strong anionic collectors, weak anionic collectors, and non-ionic collectors; more preferably, include heteroatom-containing non-ionic collectors and heterocyclic non-ionic collectors; even more preferably, include traditional collectors for the target separation system, such as at least one of xanthate collectors, oleic acid collectors, dithiophosphate collectors, mercaptan collectors, etc. In the present invention, the evaluation scale grid corresponding to the new collector molecules described in Step 4 is established through Steps 1 to 3 for the collector molecules of the corresponding target separation system or target mineral. In the present invention, there are limitations on the number of representative flotation collector molecules described in Step 1. In the process of establishing the scale in Steps 1 to 3, the selected collector molecular structure should be no less than 5; preferably, the selected collector molecular structure is greater than or equal to 8; more preferably, the selected collector molecular structure is greater than or equal to 12.

[0062] In the present invention, the target minerals include but are not limited to sulfide minerals such as pyrite, chalcopyrite, galena, sphalerite, marmatite, molybdenite, and chalcocite; oxide minerals such as fluorite, calcite, scheelite, and wolframite; and other gangue minerals such as talc, quartz, and feldspar. Preferably, the surface of the target minerals contains metal cations, such as pyrite, chalcopyrite, galena, sphalerite, marmatite, fluorite, calcite, and scheelite. In the present invention, the target separation system includes but is not limited to binary separation systems such as lead-iron sulfide separation, copper-iron sulfide separation, lead-zinc sulfide separation, and copper-molybdenum sulfide separation, ternary separation systems such as copper-iron-lead separation system, copper-molybdenum-lead separation system, and lead-zinc-iron separation system, and quaternary, quinary, or more multi-component separation systems such as copper-lead-zinc-iron separation system and lead-zinc-iron-copper-molybdenum separation system.

[0063] In the present invention, all property calculations are performed by Gaussian, without involving periodic calculations, and all calculations only involve collector molecules, without involving minerals or metal ions / atoms.

[0064] In the present invention, during the flotation test verification process of step five, it is preferably similar to or the same as the flotation reagent regime used for the flotation data of the evaluation scale grid established previously. Preferably, the dosage of the reagent differs by no more than 5 times, and the pulp pH is in the same range (<5, 5-9, >9); more preferably, the dosage of the reagent differs by no more than 2 times, and the difference is less than 2 on the premise that the pulp pH is in the same range.

[0065] In the present invention, during the flotation test verification process of step five, among the flotation reagents, in addition to the corresponding collector, a foaming agent should also be included; preferably, at least one of terpineol, cresylic acid, heavy pyridine, methyl isobutyl carbinol, eucalyptus oil, camphor oil, higher alcohols, and synthetic foaming agents; preferably, in the flotation reagents, the dosage of the foaming agent is 1×10 - 7 mol / L to 1×10 -3 mol / L; even more preferably, the dosage of the foaming agent is 1×10 -6 mol / L to 1×10 -5 mol / L.

[0066] In the present invention, during the flotation test verification process of step five, none of the collector, dispersant, and activator is included in the flotation reagents; preferably, the flotation reagents are only composed of a collector and a foaming agent.

[0067] The research of the present invention finds that by restricting the types and quantities of the representative flotation collector molecules described in Step 1, the precision and accuracy of the evaluation method and the flotation index scale of the present invention can be significantly improved. Among them, the evaluation method and scale with more complete types and larger quantities have better precision and accuracy.

[0068] The research of the present invention finds that when predicting the flotation index of novel flotation collector molecules, the evaluation system and evaluation scale established with some structures that are more similar to the structure of the novel flotation collector molecules are more effective.

[0069] The research of the present invention finds that other property parameters can provide directions for the future improvement of new collector molecules after prediction.

[0070] In the present invention, the flotation process can be realized by means of existing equipment and means. For example, single minerals, mixed ores or actual ores are crushed and slurried to obtain ore slurries, and the flotation reagents described are added to the ore slurries for flotation.

[0071] For the method for qualitatively predicting the flotation performance of collectors based on TC-FI of the present invention, for the types of target ores and gangue ores, i typical collectors (standard collectors) commonly used and typical in the industry are selected, namely typical collector 1, typical collector 2... typical collector i;

[0072] Through a known database, or by using collectors 1, 2... i respectively to conduct flotation on the target ore and the gangue ore, the corresponding recovery rates Rr1, R r2 ......Rr i ; and the recovery rate differences ΔR1, ΔR2......ΔR i ;

[0073] Subsequently, through Formula 1, the FI of each collector is calculated respectively, corresponding to FI1, FI2......FI i ;

[0074] Using density functional calculation, the negative charges of typical collectors 1 to typical collector i are calculated respectively. Subsequently, the calculation results of the first two digits of each typical collector are summed to obtain TC1, TC2.....TC of each typical collector i ...

[0075] Taking (FI1, TC1), (FI2, TC2).....(FI i , TC i ) as coordinates, an evaluation scale grid is drawn;

[0076] Define the grid area with FI ranging from 30% to 40% and TC ranging from -1 to -0.8 as the medium flotation performance area, the grid area with FI ranging from 40% to 50% and TC ranging from -0.8 to -0.6 as the good flotation performance area, and the grid area with FI greater than or equal to 50% and TC greater than -0.6 as the excellent flotation performance area.

[0077] Subsequently, use Gaussian operation to calculate the TC of the compound to be evaluated. Based on the calculated TC value, predict the flotation performance area where its FI is located, and qualitatively judge its flotation performance.

[0078] In addition, the collector to be predicted can be further flotated. Through the operation of Formula 2, its true FI can be obtained, and it can be compared with the expected area to judge the qualitative accuracy.

[0079] Beneficial effects

[0080] The present invention establishes a new flotation index (FI) for evaluating the flotation behavior of collectors. With the help of simple density functional calculations, the TC of the collector is calculated, and the flotation behavior of the new collector is quickly and qualitatively predicted and evaluated through the internal relationship between the above parameters and the new flotation index (FI). The method of the present invention is simpler, more time-saving and more economical than other flotation reagent prediction methods. Only by quick calculations and comparisons with the scale can the flotation behavior of new flotation collectors on target minerals be quickly and efficiently predicted. Brief description of the drawings

[0081] Figure 1 is the technical roadmap of the present invention;

[0082] Figure 2 is the flotation flow chart of the embodiment;

[0083] Figure 3 is the molecular structure diagram of the collector used in the embodiment;

[0084] Figure 4 is the flotation index (FI) evaluation scale grid of the embodiment;

[0085] Figure 5 is the verification result of the embodiment; Detailed implementation manners

[0086] Embodiment

[0087] Taking the galena-pyrite separation system as an example, this embodiment illustrates the specific implementation process of the present invention ( Figure 1 ) and verifies the reliability of the prediction results of the method of the present invention. The flotation process is as Figure 2 shown. A method for quickly and qualitatively evaluating and predicting the flotation behavior of collectors by calculating property parameters includes the following steps:

[0088] Step 1: Calculate the relative recovery rate Rr (the difference between the absolute recovery rate and the natural floatability) of galena and the recovery rate difference ΔR between galena and pyrite using a variety of representative collectors for the galena-pyrite separation system ( Figure 3 ), so as to quantify the collecting ability and selectivity of the collectors respectively. Establish a new flotation index (Flotation Index: FI) through the formula . The results are listed in Table 1. The flotation process of actual flotation is as shown in Figure 2 . The flotation reagent regime is as follows: the dosage of all collectors is 2×10 -4 mol / L, the pulp pH is 7 for all, and terpineol is used as the frother with a dosage of 2.5×10 -6 mol / L for all. The flotation conditions for the natural floatation rate of minerals are: the pulp pH is 7 for all, and terpineol is used as the frother with a dosage of 2.5×10 -6 mol / L for all.

[0089] Step 2: Conduct simple property calculations on the above collector molecules. The main calculated properties include: volume, molecular polarity index (MPI), the charge carried by the most negatively charged atom (chrg -1 ), the charge carried by the second most negatively charged atom (chrg -2 ), and the total charge (TC = chrg -1 +chrg -2 ). The results are listed in Table 2.

[0090] Step 3: Correlate the above property parameters with the flotation index (FI) to establish an evaluation scale grid. The results are shown in Figure 4 .

[0091] Step 4: Calculate the relevant property parameters of the new collector to be predicted (Table 3), and corresponding to the established evaluation scale grid, quickly and conveniently evaluate the flotation index of the new collector for the target minerals.

[0092] Step 5: Verify the prediction results using actual flotation tests, including but not limited to single mineral flotation tests, mixed ore flotation tests, actual ore flotation tests, and (semi)-industrial experiments. The verification results are shown in Figure 5 . The flotation process of actual flotation is as shown in Figure 2 . The flotation reagent regime is the same as that of the reference collector flotation regime: the dosage of the collector is 2×10 -4 mol / L for all, the pulp pH is 7 for all, and terpineol is used as the frother with a dosage of 2.5×10 -6 mol / L for all.

[0093] Step 6: Combine other property parameters to judge the improvement direction of this type of collector molecule, and guide the next reagent development research.

[0094] In the table: R1 refers to the recovery rate of galena, and R2 refers to the recovery rate of pyrite. ΔR is the difference between the recovery rate of galena and that of pyrite, i.e., R1 - R2. Rr1 refers to the relative recovery rate of galena, which is the difference between the recovery rate of galena and the natural floating rate (floatability / recovery rate) of galena (the recovery rate when only frother is added; 35%), i.e., R1 – R0.

[0095] Table 1 Flotation results and flotation indices of collectors No.1-22 selected in this example.

[0096]

[0097]

[0098] Table 2 Calculation results of parameters of collectors No.1-22 selected in this example.

[0099]

[0100]

[0101] Table 3 Calculation results of parameters and flotation test results of collectors Test.1-4

[0102]

[0103] In the table: [collector] = 2×10 -4 mol / L, pH = 7, [terpineol] = 2.5×10 -6 mol / L.

[0104] First, a scatter plot is drawn using the TC and FI of collectors No.1-22 ( Figure 4 ), and the FI region is divided into 'poor (0 - 30)', 'medium (30 - 40)', 'good (40 - 50)' and 'excellent (>50)'. Correspondingly, the TC region is divided into: 'poor (< -1.0)', 'medium (-0.8 - -1.0)', 'good (-0.6 - -0.8)' and 'excellent (> -0.6)'. Thus, a scale grid for qualitative evaluation is established.

[0105] First, it can be seen from the results of MPI that the polarity of the collector molecule of Test.1 is moderate, indicating qualified selectivity and collecting ability, i.e., a higher FI value; the polarities of the collector molecules of Test.2 - 3 are lower, indicating insufficient selectivity and collecting ability, i.e., a lower FI; while the polarity of the collector molecule of Test.4 is higher, indicating sufficient collecting ability and extremely poor selectivity, i.e., an even lower FI.

[0106] The TC values of Test.1-4 collectors were brought into the qualitative scale grid established above, and it was evaluated that: the collector of Test.1 (-0.668) had a good or even nearly excellent FI; the collectors of Test.2-3 (-0.913 and -0.810) had a medium FI; the collector of Test.4 (-1.055) had a poor FI.

[0107] Next, a standardized flotation test was carried out to obtain the standard recovery rate to verify the accuracy of the evaluation. The FI results calculated based on the actual flotation data were plotted in the established scale grid, as Figure 5 shown. The collector of Test.1 fell at the junction of the good and excellent regions, which was consistent with the previous prediction results. The lower predicted FI value was due to the fact that the collector of Test.1 was a single-bonded collector, while the TC calculated the electric charge of two atoms. The collectors of Test.2-3 fell in the medium region, which was consistent with the previous prediction results. Part of the error was due to the fact that the collector of Test.3 was a multi-bonded collector. In addition, the collector of Test 4 undoubtedly fell in the poor region, which was also consistent with the qualitative prediction results.

[0108] In addition, as can be seen from Table 3, the Volume of the collector can well quantify the size of its hydrophobic side. The complement of the bonding ability of non-ionic collectors depends on the increase in volume. When improving the problem of insufficient collecting ability of non-ionic collectors, a larger hydrophobic end, that is, a larger Volume, can be considered. On the other hand, MPI is a parameter of the polarity of the collector molecule, and to a certain extent, it also represents the degree of charge imbalance inside the collector molecule. For collectors with different skeletons, the larger the MPI, the stronger the collecting ability and the worse the selectivity tend to be. However, for collectors with the same skeleton, the MPI decreases with the introduction of more inert atoms, but at this time the collecting ability of the collector increases while the selectivity decreases. This is because the introduction of inert atoms not only distributes the charge, reduces the polarity, but also increases the hydrophobic end. More efficient new collectors can be further developed based on the above conclusions.

Claims

1. A method for qualitatively predicting the flotation performance of collectors based on TC-FI, characterized in that the steps Comprising: Step (a): Select more than 5 known typical collectors and perform density functional calculations on each typical collector for chrg -1 and chrg -2 , and calculate the total charge TC of each typical collector through formula 1: TC = chrg -1 + chrg -2 Formula 1; where chrg -1 is the charge carried by the atom with the most negative charge among the typical collectors, and chrg -2 is the charge carried by the atom with the second most negative charge among the typical collectors; Calculate the relative recovery rate Rr and the recovery rate difference ΔR of each typical collector respectively, and calculate the flotation index FI of each typical collector through Formula 2. Formula 2: The relative recovery rate Rr is respectively the flotation recovery rate of the target mineral by each typical collector - the natural floating rate of the target mineral. The recovery rate difference ΔR is respectively the flotation recovery rate of the target mineral by each typical collector - the recovery rate of gangue minerals. Based on the flotation index FI as the vertical scale and TC as the horizontal scale, construct an evaluation scale grid. Step (b): Perform density functional calculation on the collector to be predicted, and calculate its TC based on Formula 1. Subsequently, according to the calculated value of TC, compare it with the evaluation scale grid constructed in step (a) to qualitatively predict its flotation performance.

2. The method according to claim 1, wherein In step (a), through density functional calculation, further calculate the volume and molecular polarity index of each typical collector for auxiliary qualitative judgment of flotation performance together with TC.

3. The method according to claim 1, wherein The target ore is a sulfide ore or an oxide ore.

4. The method according to claim 3, wherein The sulfide ore is at least one of pyrite, chalcopyrite, galena, sphalerite, marmatite, molybdenite, and chalcocite. The oxide ore is at least one of fluorite, calcite, scheelite, and wolframite.

5. The method according to claim 4, wherein The mineral system containing target minerals - gangue minerals is lead - iron sulfide ore, copper - iron sulfide ore, lead - zinc sulfide ore, copper - molybdenum sulfide ore, copper - iron - lead sulfide ore, copper - molybdenum - lead sulfide ore, lead - zinc - iron sulfide ore, copper - lead - zinc - iron sulfide ore, or lead - zinc - iron - copper - molybdenum sulfide ore.

6. The method according to claim 1, wherein The typical collectors include at least ionic collector - type collectors and non - ionic collector - type collectors.

7. The method according to claim 6, wherein The ionic collector includes at least one of strong anionic collectors and weak anionic collectors. The non - ionic collector includes at least one of heteroatom - type non - ionic collectors and heterocyclic - type non - ionic collectors.

8. The method according to claim 7, wherein The number of types of selected typical collectors is greater than or equal to 2 types.

9. The method according to claim 8, wherein The number of types of selected typical collectors is 3 - 10 types.

10. The method according to claim 8, characterized in that, When the target ore is a sulfide ore, the typical collectors include at least 5 or more compounds of xanthate - type collectors, dithiophosphate - type collectors, and mercaptan - type collectors. When the target ore is an oxide ore, the typical collectors include at least 5 or more compounds of oleic acid - type collectors, linoleic acid - type collectors, and hydroxamic acid - type collectors.

11. The method according to claim 10, wherein When the target ore is a sulfide ore, the number of compounds of the selected typical collectors is greater than or equal to 10.

12. The method according to claim 1, wherein Through the flotation method, obtain the relative recovery rate Rr and the recovery rate difference ΔR of each typical collector for the ore containing target ore - gangue ore.

13. The method according to claim 12, wherein In the flotation stage, the dosage ratio of each typical collector is less than or equal to 5 times.

14. The method according to claim 13, wherein In the flotation stage, the dosage ratio of each typical collector is less than or equal to 2 times.

15. The method according to claim 14, wherein In the flotation stage, the dosage ratio of each typical collector is 0.95 - 1.05 times.

16. The method according to claim 1, wherein The dosages of each typical collector are 1 × 10 -6 mol / L to 1 × 10 -2 mol / L.

17. The method according to claim 1, wherein The dosages of each typical collector are 1 × 10 -5 mol / L to 1 × 10 -3 mol / L.

18. The method according to claim 1, wherein A foaming agent is also added to the flotation system, and the foaming agent is at least one of terpineol, cresylic acid, heavy pyridine, methyl isobutyl carbinol, eucalyptus oil, camphor oil, higher alcohols, and synthetic foaming agents.

19. The method according to claim 18, wherein The dosage of the foaming agent is 1 × 10 -7 mol / L to 1 × 10 -3 mol / L.

20. The method according to claim 1, characterized in that The pH in the flotation stage is all in pHa region, or all in pHb region; or all in pHc region. Among them, the pH in the pHa region is less than 5; the pH in the pHb region is 5 - 9; the pH in the pHc region is greater than 9.

21. The method according to claim 20, wherein The flotation conditions for each typical collector are the same.

22. The method according to any one of claims 1 to 21, characterized in that, Taking FI as the abscissa and TC as the ordinate, an evaluation scale grid is constructed. Among them, the coordinate where the abscissa and ordinate intersect is (-1, 30%).

23. The method according to claim 22, wherein The said evaluation scale grid is as follows: the grid area where FI is 30% - 40% and TC is -1 - -0.8 is the area with medium flotation performance; the grid area where FI is 40% - 50% and TC is -0.8 - -0.6 is the area with good flotation performance; the grid area where FI is greater than 50% and TC is greater than -0.6 is the area with excellent flotation performance; The grid area where FI is greater than 30% and TC is less than -1 is the area with poor flotation performance.

24. The method according to claim 23, wherein Based on the calculated TC and the evaluation scale grid, the flotation performance of the collector to be predicted with the TC value < -1 in step (b) is qualitatively determined as poor; the flotation performance of the collector to be predicted with the TC value greater than -1 and less than or equal to -0.8 in step (b) is qualitatively determined as medium; the flotation performance of the collector to be predicted with the TC value greater than -0.8 and less than or equal to -0.6 in step (b) is qualitatively determined as good; the flotation performance of the collector to be predicted with the TC value greater than -0.6 in step (b) is qualitatively determined as excellent.

25. The method according to claim 22, wherein It also includes a verification step (c): using the collector to be predicted to float the target ore and gangue ore, calculating the actual flotation index FI based on formula 1 according to the actual flotation data, and verifying the prediction result by comparing the flotation index of the actual flotation with the calculated flotation index.

26. The method according to claim 25, wherein The flotation conditions of the collector to be predicted are the same as those of the typical collector.

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