Palladium catalyst recovery control method and system for deuterated aromatic hydrocarbon preparation
By optimizing the support matching, ligand collaborative anchoring and control of recovery reaction conditions, efficient recovery of palladium catalysts is achieved, solving the problem of low recovery efficiency in the prior art, and improving the stability and reuseability of palladium catalysts.
Patent Information
- Application Number
- CN202510610487.3
- Authority / Receiving Office
- CN · China
- Patent Type
- Applications(China)
- Current Assignee / Owner
- Filing Date
- 2025-05-13
- Publication Date
- 2025-08-15
AI Technical Summary
In the prior art, palladium catalysts have low recovery efficiency after the preparation of deuterated aromatic hydrocarbons, and there are problems such as serious catalyst deactivation and unstable recovery process.
By using the palladium catalyst as the matching constraint, the carrier database is traversed and matched, the target ligand is obtained and the anchoring pre-treatment is performed, the recovery reactor is adjusted in combination with the optimal recovery condition scheme, and a post-treatment mechanism is introduced to achieve efficient recovery of palladium catalyst.
The recycling efficiency of palladium catalyst is improved, its stability and reusability are ensured, and the problem of low recycling efficiency is solved.
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Abstract
Description
Technical Field
[0001] The present invention relates to the technical field of catalyst recovery, and in particular to a palladium catalyst recovery control method and system for the preparation of deuterated aromatic hydrocarbons. Background Art
[0002] Palladium catalysts are widely used in the preparation of deuterated aromatic hydrocarbons. As one of the most important catalysts, palladium catalysts play a role in accelerating the reaction and improving the reaction selectivity. However, palladium catalysts gradually lose their activity during use, especially under long-term contact and high-temperature conditions during the reaction. In order to improve economic efficiency and reduce resource waste, the recovery of palladium catalysts has become an important research topic in the chemical industry. Currently, the recovery methods of palladium catalysts mainly rely on physical and chemical methods such as solvent extraction, precipitation, and adsorption. However, these methods have problems such as low recovery efficiency, severe catalyst deactivation, and unstable recovery process. The existing technology still has certain deficiencies in the control of recovery reaction conditions, the selection of catalyst carriers, and the purity of the recovered products. Summary of the Invention
[0003] The present application provides a palladium catalyst recovery control method and system for the preparation of deuterated aromatic hydrocarbons, which solves the technical problem of low recovery efficiency of palladium catalyst after the preparation of deuterated aromatic hydrocarbons in the prior art.
[0004] In the first aspect, the present application provides a palladium catalyst recovery control method for the preparation of deuterated aromatic hydrocarbons, the method comprising: using the palladium catalyst as a matching constraint, traversing and matching the carrier database to obtain a target carrier; obtaining a target ligand, and coordinating the target ligand to anchor pretreatment of the target carrier to obtain an anchored carrier; obtaining an optimal recovery condition scheme, and controlling and adjusting the recovery reactor according to the optimal recovery condition scheme and the anchored carrier to obtain a recovery reaction product; introducing a post-processing mechanism to post-process the recovery reaction product to achieve the recovery of the palladium catalyst.
[0005] In the second aspect, the present application provides a palladium catalyst recovery control system for the preparation of deuterated aromatic hydrocarbons, the system comprising: a matching module, used to traverse and match the carrier database with the palladium catalyst as the matching constraint to obtain the target carrier; a pretreatment module, used to obtain the target ligand, and coordinate the target ligand to perform anchoring pretreatment on the target carrier to obtain the anchored carrier; an adjustment module, used to obtain the optimal recovery condition scheme, and control and adjust the recovery reactor according to the optimal recovery condition scheme and the anchored carrier to obtain the recovery reaction product; a post-processing module, used to introduce a post-processing mechanism to perform post-processing on the recovery reaction product to realize the recovery of the palladium catalyst.
[0006] One or more technical solutions provided in this application have at least the following technical effects or advantages:
[0007] First, with the palladium catalyst as the matching constraint, the carrier database is traversed and matched to obtain the target carrier. Next, the target ligand is obtained, and the target carrier is anchored and pre-treated in coordination with the target ligand to obtain the anchored carrier. Then, the optimal recovery condition scheme is obtained, and the recovery reactor is controlled and adjusted according to the optimal recovery condition scheme and the anchored carrier to obtain the recovered reaction product. Finally, a post-processing mechanism is introduced to post-process the recovered reaction product to achieve the recovery of the palladium catalyst. The technical problem of low recovery efficiency of palladium catalyst after the preparation of deuterated aromatic hydrocarbons in the prior art is solved. By optimizing the carrier matching, ligand collaborative anchoring and control of the recovery reaction conditions, the technical effect of improving the recovery efficiency of the palladium catalyst is achieved. BRIEF DESCRIPTION OF THE DRAWINGS
[0008] Figure 1 A schematic flow chart of a palladium catalyst recovery control method for the preparation of deuterated aromatic hydrocarbons is provided for this application;
[0009] Figure 2 This application provides a structural schematic diagram of a palladium catalyst recovery control system for the preparation of deuterated aromatic hydrocarbons.
[0010] Description of reference numerals: matching module 11 , pre-processing module 12 , adjustment module 13 , post-processing module 14 . DETAILED DESCRIPTION
[0011] The present application solves the technical problem of low recovery efficiency of palladium catalyst after preparation of deuterated aromatic hydrocarbons in the prior art by providing a palladium catalyst recovery control method and system for the preparation of deuterated aromatic hydrocarbons.
[0012] Example 1, as Figure 1 As shown, the embodiment of the present application provides a palladium catalyst recovery control method for the preparation of deuterated aromatic hydrocarbons, the method comprising:
[0013] Step S100: using the palladium catalyst as a matching constraint, performing traversal matching on a carrier database to obtain a target carrier.
[0014] In an embodiment of the present application, by analyzing the physical and chemical properties of the palladium catalyst, the matching constraints of the palladium catalyst are defined, including the molecular size, surface activity, pore structure of the palladium catalyst and its interaction characteristics with the reactants. Based on the matching constraints, the carrier database is traversed and matched, wherein the carrier database contains a variety of different types of carrier materials, such as covalent organic frameworks (COFs), metal organic frameworks (MOFs), activated carbon, silica gel, etc. Each carrier material has different pore structures and surface properties. The matching degree of each carrier and the palladium catalyst is analyzed one by one, and the carrier with the required matching degree is selected as the target carrier.
[0015] Furthermore, step S100 of the present application also includes:
[0016] Step S110: Obtain the molecular size of the target species of the palladium catalyst; Step S120: Randomly extract any covalent organic framework from the carrier database, and the arbitrary covalent organic framework corresponds to any pore size; Step S130: Compare the molecular size of the target species with the arbitrary pore size to obtain a matching deviation; Step S140: If the matching deviation is within a predetermined error threshold, then use the arbitrary covalent organic framework as the target carrier.
[0017] In the present application embodiment, first obtain the target species molecular size of palladium catalyst, target species molecular size reflects the effective active site size and spatial distribution of palladium catalyst, affects the selectivity and efficiency of catalytic reaction.Then, system randomly extracts any covalent organic framework (COF) from carrier database, and covalent organic framework is usually used as supporting material in catalytic reaction, with specific pore structure.Then, contrast the target species molecular size of palladium catalyst and the pore size of covalent organic framework, calculate the matching degree deviation between them, wherein, matching degree deviation refers to the difference between palladium catalyst molecular size and pore size, reflects the degree of adaptation of palladium catalyst molecule in carrier pores, and deviation value is smaller, represents that the matching degree of palladium catalyst and carrier is higher.If matching degree deviation is in predetermined error threshold value, then it is believed that the matching property of this covalent organic framework and palladium catalyst is better, and it is selected as target carrier.
[0018] Step S200: obtaining a target ligand, and performing anchoring pretreatment on the target carrier in conjunction with the target ligand to obtain an anchored carrier.
[0019] The target ligands usually contain molecules with active functional groups, such as pyridines, imidazoles, etc., which can interact with the active sites of the support and enhance the binding force between the support and the palladium catalyst.
[0020] After obtaining the target ligand, the system synergizes the target ligand with the target carrier, firmly fixes the ligand on the carrier surface through chemical bonds or coordination forces, thereby performing anchoring pretreatment to obtain an anchored carrier.
[0021] Furthermore, step S200 of the present application also includes:
[0022] Step S210: forming an electron-rich nitrogen-containing group set and extracting a first arbitrary group from the electron-rich nitrogen-containing group set; Step S220: forming an interaction group set of the target carrier and extracting a second arbitrary group from the interaction group set; Step S230: forming a bifunctional ligand based on the first arbitrary group and the second arbitrary group, and using the bifunctional ligand as the target ligand.
[0023] In the present application embodiment, an electron-rich nitrogen-containing group set is formed, and a nitrogen group with an electron-donating property is selected, such as a pyridyl, imidazole or bipyridyl group, etc. These groups are rich in electrons, can enhance the interaction between the ligand and the carrier, and improve the efficiency of the catalytic reaction; From the electron-rich nitrogen-containing group set, a first arbitrary group is extracted, as one of the functional groups of the target ligand, for combining with the target carrier surface. Then, an interaction group set of the target carrier is formed, and a group with a specific affinity on the carrier surface is selected, and these groups can coordinate or chemically react with the functional group of the ligand to enhance the interaction force between the carrier and the ligand. From the interaction group set, a second arbitrary group is extracted, and these groups act together with the extracted first arbitrary group to further enhance the stability of the ligand and the binding ability to the carrier surface. According to the characteristics of the first arbitrary group and the second arbitrary group, these two groups are formed into a bifunctional ligand, and the bifunctional ligand can efficiently form a stable chemical bond or coordination force with the target carrier surface by having both electron supply and chemical binding functions. Finally, the bifunctional ligand is used as the target ligand and synergistically acts with the target carrier to complete the anchoring pretreatment. Through this process, the binding force between the ligand and the support is enhanced, thereby forming an anchored support, ensuring that the palladium catalyst can be evenly dispersed on the support surface and effectively improving the catalytic activity.
[0024] Furthermore, step S210 of the present application also includes: the set of electron-rich nitrogen-containing groups at least includes pyridyl, imidazole and bipyridyl.
[0025] The electron-rich nitrogen-containing group includes at least pyridyl, imidazolyl, and bipyridyl groups. Due to their electron-rich properties, these groups can provide a strong electron donation effect when the target ligand forms a coordination bond with the support surface. Specifically, the pyridyl group has a high electron density and can donate electrons to the surrounding environment through its nitrogen atom; the imidazolyl group also has a rich electron cloud, and its nitrogen atom has strong coordination ability, which can enhance the binding between the ligand and the support; the bipyridyl group has two pyridine rings, which can provide a more stable electron donation and can also form multiple coordination sites, further enhancing the interaction between the ligand and the support.
[0026] Furthermore, step S220 of the present application also includes: the set of interaction groups at least includes a carboxylic acid group, a sulfonic acid group and a phosphonic acid group.
[0027] The set of interaction groups includes at least carboxylic acid, sulfonic acid, and phosphonic acid groups, which play a key role in the interaction between the target carrier and the target ligand. Specifically, carboxylic acid groups have strong acidity and can form stable coordination interactions with metal centers through their oxygen atoms, enhancing the binding force between the ligand and the carrier. Sulfonic acid groups also have good hydrophilicity and acidity, and can effectively interact with metal centers or other functional groups on the carrier surface through their sulfur-oxygen bonds, increasing the stability of the system. Phosphonic acid groups have strong coordination ability and can bind to metal ions through their phosphorus atoms, further improving the affinity between the carrier and the ligand.
[0028] Furthermore, step S200 of the present application also includes: the anchoring pretreatment refers to anchoring the N, C ligand-chelated palladium species in a highly dispersed state inside and on the surface of the target carrier through a predetermined process, and utilizing the interactive groups in the target ligand to enhance the anchoring of the target species.
[0029] Specifically, first, N, C ligands (such as nitrogen-containing or carbon-containing ligand molecules) are used to form a chelate structure with the palladium metal center, that is, the palladium metal is stably bound to the ligand molecule in a ring structure; wherein, the chelate structure ensures that the palladium catalyst exists in a highly stable state, prevents it from aggregating or precipitating, and maintains good dispersibility and reactivity. Subsequently, these chelated palladium ring species are guided to the target carrier and anchored to the interior and surface of the target carrier in a highly dispersed state through a predetermined process; the palladium ring species forms a stable bond with the chemical sites on the carrier surface or inside the pores, ensuring that the palladium catalyst is evenly distributed and effectively avoiding agglomeration. During the anchoring process, the interacting groups in the target ligand further enhance the anchoring stability of the palladium species by coordinating or hydrogen bonding with the palladium species or other active sites on the carrier surface.
[0030] Through the anchoring pretreatment process, the palladium catalyst can be ensured to be evenly dispersed on the surface and inside the carrier, and the anchoring effect can be enhanced through the interactive groups in the target ligand, thereby improving the stability, reactivity and reusability of the palladium catalyst.
[0031] Step S300: obtaining an optimal recovery condition scheme, and controlling and adjusting the recovery reactor according to the optimal recovery condition scheme and the anchoring carrier to obtain a recovery reaction product.
[0032] Based on experimental data, the optimal recovery conditions, including reaction temperature and reaction time, are obtained. These conditions can maximize the recovery efficiency and purity of the palladium catalyst.
[0033] Based on the optimal recovery conditions obtained, it is combined with an anchored support. The palladium catalyst on the anchored support is stably distributed on the support's surface and within its pores through an anchoring pretreatment process, enabling efficient reactions with reactants under optimal conditions. Based on the optimal recovery conditions, the system adjusts the recovery reactor's operating parameters, such as heating temperature and reaction time, to ensure optimal catalyst activity and recovery results. After controlling and adjusting the recovery reactor, the system completes the palladium catalyst recovery reaction and ultimately produces a recovered reaction product.
[0034] Furthermore, step S300 of the present application also includes: the optimal recovery condition scheme refers to a reaction temperature of 50-60°C and a reaction time of 3 to 4 hours.
[0035] The optimal recovery condition scheme refers to a reaction temperature of 50-60°C and a reaction time of 3 to 4 hours. Specifically, the reaction temperature and reaction time were determined through experimental and simulation optimization to achieve efficient recovery of the palladium catalyst. Within this temperature range, the reactants and catalyst can fully react while avoiding excessively high temperatures that cause catalyst degradation or unnecessary side reactions. The reaction time is 3 to 4 hours, which is sufficient to ensure sufficient contact between the palladium catalyst and the reactants and maximize the recovery efficiency.
[0036] Furthermore, step S300 of the present application also includes:
[0037] Step S310: Formulate a first recovery condition according to the optimal recovery condition scheme; Step S320: Perform simulated recovery on the first recovery condition to obtain a first simulation record; Step S330: Perform weighted calculation on the first simulation system stability coefficient and the first simulated deuteration reaction efficiency in the first simulation record to obtain the first condition fitness; Step S340: With the goal of maximizing the first condition fitness, optimize and obtain the optimal recovery condition; Step S350: Perform reaction control adjustment on the recovery reactor based on the optimal recovery condition.
[0038] Preferably, according to the optimal recovery condition scheme, the first recovery condition is formulated, including reaction temperature and reaction time, as the preliminary setting of the recovery process; Based on the first recovery condition, recovery simulation is carried out, and by simulating the recovery process, the first simulation record is obtained; The first simulation system stability coefficient and the first simulated deuterated reaction efficiency are extracted from the first simulation record, the first simulation system stability coefficient reflects the stability of the system in the recovery reaction process, and the first simulated deuterated reaction efficiency represents the efficiency of the reaction and the recovery capacity of the palladium catalyst; The first simulation system stability coefficient and the first simulated deuterated reaction efficiency are weightedly calculated to evaluate the overall effect of the first recovery condition, and the first condition fitness is obtained; With the first condition fitness being the maximum as the goal, optimization is continued, and the optimal recovery condition is obtained by searching for the best; By multiple simulations and calculations, the system continuously adjusts the various parameters in the recovery condition, and finally obtains the most suitable recovery condition, ensures that the recovery efficiency of the palladium catalyst is maximized, and improves the stability of the reaction. After determining the optimal recovery condition, these conditions are applied to the actual recovery reactor, and the reaction process is controlled and adjusted. By adjusting the parameters such as the temperature and time in the reactor, it is ensured that the recovery reaction is carried out according to the optimal condition, so as to obtain an efficient recovery reaction product.
[0039] Step S400: introducing a post-processing mechanism to post-process the recovered reaction product to achieve the recovery of the palladium catalyst.
[0040] By introducing a high-speed centrifugal separation strategy in the post-processing system, the recovered reaction products are preliminarily treated, with a rotation speed of not less than 10,000 rpm for 10 to 15 minutes to effectively separate the palladium catalyst from the impurities in the recovered reaction products, achieving a preliminary recovery of at least 80% of the palladium catalyst. Subsequently, the system introduces a multi-stage countercurrent filtration washing strategy, using a mixed system of polar solvents and non-polar solvents as a washing liquid, and further purifies the recovered product by gradient removal of residual organic matter. Ultimately, after this series of treatments, the system successfully recovers and purifies the palladium catalyst, ensuring its catalytic activity and purity, which can be used in subsequent reaction processes, improving resource utilization and achieving efficient reuse of the palladium catalyst.
[0041] Furthermore, step S400 of the present application also includes:
[0042] Step S410: extracting the high-speed centrifugation post-processing strategy in the post-processing mechanism; step S420: post-processing the recovered reaction product according to the high-speed centrifugation post-processing strategy to achieve the preliminary recovery of the palladium catalyst; step S430: based on the preliminary recovery of the palladium catalyst, extracting the multi-stage countercurrent filtration washing post-processing strategy in the post-processing mechanism; step S440: post-processing the recovered reaction product according to the multi-stage countercurrent filtration washing post-processing strategy to achieve the recovery of the palladium catalyst; step S450: wherein, the high-speed centrifugation post-processing strategy refers to a speed of not less than 10,000 rpm and a time of 10 to 15 minutes to achieve a preliminary recovery of more than 80% of the palladium catalyst, and the multi-stage countercurrent filtration washing post-processing strategy uses a mixed system of polar solvents and non-polar solvents as a washing liquid to gradiently remove residual organic matter.
[0043] The recovered reaction product is treated using a high-speed centrifugation post-processing strategy within the post-processing mechanism. This high-speed centrifugation strategy, operating at a speed of at least 10,000 rpm for 10 to 15 minutes, effectively separates the palladium catalyst from the reaction solution, ensuring initial recovery of at least 80% of the palladium catalyst. Based on this initial recovery of the palladium catalyst, the recovered product is further purified using a multi-stage countercurrent filtration and washing post-processing strategy within the post-processing mechanism. Residual organic matter in the recovered product is removed by gradient filtration using a mixed system of polar and non-polar solvents as the washing liquid. After high-speed centrifugation and multi-stage countercurrent filtration and washing, the palladium catalyst is finally recovered. The recovered palladium catalyst maintains its catalytic activity and can be reused in subsequent reactions.
[0044] In summary, the embodiments of the present application have at least the following technical effects:
[0045] First, with the palladium catalyst as the matching constraint, the carrier database is traversed and matched to obtain the target carrier. Next, the target ligand is obtained, and the target carrier is anchored and pre-treated in coordination with the target ligand to obtain the anchored carrier. Then, the optimal recovery condition scheme is obtained, and the recovery reactor is controlled and adjusted according to the optimal recovery condition scheme and the anchored carrier to obtain the recovered reaction product. Finally, a post-processing mechanism is introduced to post-process the recovered reaction product to achieve the recovery of the palladium catalyst. The technical problem of low recovery efficiency of palladium catalyst after the preparation of deuterated aromatic hydrocarbons in the prior art is solved. By optimizing the carrier matching, ligand collaborative anchoring and control of the recovery reaction conditions, the technical effect of improving the recovery efficiency of the palladium catalyst is achieved.
[0046] Example 2, based on the same inventive concept as the palladium catalyst recovery control method for the preparation of deuterated aromatic hydrocarbons in the above embodiment, Figure 2As shown, the present application provides a palladium catalyst recovery control system for the preparation of deuterated aromatic hydrocarbons, the system comprising:
[0047] The matching module 11 is used to traverse and match the carrier database with the palladium catalyst as the matching constraint to obtain the target carrier; the pretreatment module 12 is used to obtain the target ligand and coordinate the target ligand to perform anchor pretreatment on the target carrier to obtain the anchor carrier; the adjustment module 13 is used to obtain the optimal recovery condition scheme, and control and adjust the recovery reactor according to the optimal recovery condition scheme and the anchor carrier to obtain the recovery reaction product; the post-processing module 14 is used to introduce a post-processing mechanism to post-process the recovery reaction product to achieve the recovery of the palladium catalyst.
[0048] Furthermore, the matching module 11 is configured to perform the following method:
[0049] Obtaining the target species molecular size of the palladium catalyst; randomly extracting any covalent organic framework from the carrier database, and the arbitrary covalent organic framework corresponds to any pore size; comparing the target species molecular size with the arbitrary pore size to obtain a matching deviation; if the matching deviation is within a predetermined error threshold, using the arbitrary covalent organic framework as the target carrier.
[0050] Furthermore, the pre-processing module 12 is configured to perform the following method:
[0051] An electron-rich nitrogen-containing group set is formed, and a first arbitrary group in the electron-rich nitrogen-containing group set is extracted; an interaction group set of the target carrier is formed, and a second arbitrary group in the interaction group set is extracted; a bifunctional ligand is formed based on the first arbitrary group and the second arbitrary group, and the bifunctional ligand is used as the target ligand.
[0052] Furthermore, the pre-processing module 12 is configured to perform the following method:
[0053] The electron-rich nitrogen-containing group set includes at least pyridyl, imidazole and bipyridyl.
[0054] Furthermore, the pre-processing module 12 is configured to perform the following method:
[0055] The set of interactive groups includes at least carboxylic acid groups, sulfonic acid groups and phosphonic acid groups.
[0056] Furthermore, the pre-processing module 12 is configured to perform the following method:
[0057] The anchoring pretreatment refers to anchoring the N, C ligand-chelated palladium species in a highly dispersed state inside and on the surface of the target carrier through a predetermined process, and utilizing the interactive groups in the target ligand to enhance the anchoring of the target species.
[0058] Furthermore, the adjustment module 13 is configured to perform the following method:
[0059] The optimal recovery condition scheme refers to a reaction temperature of 50-60° C. and a reaction time of 3 to 4 hours.
[0060] Furthermore, the adjustment module 13 is configured to perform the following method:
[0061] Formulate first recovery conditions according to the optimal recovery condition scheme; simulate recovery for the first recovery conditions to obtain a first simulation record; perform weighted calculation on the first simulation system stability coefficient and the first simulated deuteration reaction efficiency in the first simulation record to obtain a first condition fitness; optimize and obtain the optimal recovery conditions with the goal of maximizing the first condition fitness; and adjust the reaction control of the recovery reactor based on the optimal recovery conditions.
[0062] Furthermore, the post-processing module 14 is configured to perform the following method:
[0063] Extract the high-speed centrifugation post-processing strategy in the post-processing mechanism; post-process the recovery reaction product according to the high-speed centrifugation post-processing strategy to achieve preliminary recovery of the palladium catalyst; on the basis of the preliminary recovery of the palladium catalyst, extract the multi-stage countercurrent filtration and washing post-processing strategy in the post-processing mechanism; post-process the recovery reaction product according to the multi-stage countercurrent filtration and washing post-processing strategy to achieve recovery of the palladium catalyst; wherein, the high-speed centrifugation post-processing strategy refers to a rotation speed of not less than 10,000 rpm and a time of 10 to 15 minutes to achieve preliminary recovery of more than 80% of the palladium catalyst, and the multi-stage countercurrent filtration and washing post-processing strategy uses a mixed system of polar solvents and non-polar solvents as a washing liquid to gradiently remove residual organic matter.
[0064] Through the above-mentioned detailed description of the palladium catalyst recovery control method for the preparation of deuterated aromatic hydrocarbons in this specification, those skilled in the art can clearly understand the palladium catalyst recovery control system for the preparation of deuterated aromatic hydrocarbons in this embodiment. For the device disclosed in the embodiment, since it corresponds to the method disclosed in the embodiment, the description is relatively simple, and the relevant parts can be referred to the method part description.
[0065] The above description of the disclosed embodiments is intended to enable one skilled in the art to implement or use the present application. Various modifications to these embodiments will be readily apparent to one skilled in the art, and the general principles defined herein may be implemented in other embodiments without departing from the spirit or scope of the present application. Therefore, the present application is not limited to the embodiments shown herein, but is intended to conform to the widest scope consistent with the principles and novel features disclosed herein.
Claims
1. A palladium catalyst recovery control method for the preparation of deuterated aromatic hydrocarbons, characterized in that: The method comprises: Using the palladium catalyst as a matching constraint, traversing and matching the carrier database to obtain a target carrier; Obtaining a target ligand, and performing anchoring pretreatment on the target carrier in conjunction with the target ligand to obtain an anchored carrier; Obtaining an optimal recovery condition scheme, and controlling and adjusting the recovery reactor according to the optimal recovery condition scheme and the anchoring carrier to obtain a recovery reaction product; A post-processing mechanism is introduced to post-process the recovered reaction product to achieve the recovery of the palladium catalyst.
2. The palladium catalyst recovery control method for the preparation of deuterated aromatic hydrocarbons according to claim 1, characterized in that: Using the palladium catalyst as a matching constraint, the carrier database is traversed and matched to obtain a target carrier, including: Obtaining the molecular size of the target species of the palladium catalyst; Randomly extracting any covalent organic framework from the carrier database, wherein the arbitrary covalent organic framework corresponds to any pore size; Comparing the molecular size of the target species with the arbitrary pore size to obtain a matching deviation; If the matching degree deviation is within a predetermined error threshold, the arbitrary covalent organic framework is used as the target carrier.
3. The palladium catalyst recovery control method for the preparation of deuterated aromatic hydrocarbons according to claim 1, characterized in that: Obtaining a target ligand and performing anchoring pretreatment on the target carrier in conjunction with the target ligand to obtain an anchored carrier, comprising: forming an electron-rich nitrogen-containing group set, and extracting a first arbitrary group from the electron-rich nitrogen-containing group set; Establishing an interaction group set of the target vector, and extracting a second arbitrary group from the interaction group set; A bifunctional ligand is formed according to the first arbitrary group and the second arbitrary group, and the bifunctional ligand is used as the target ligand.
4. The palladium catalyst recovery control method for deuterated aromatic hydrocarbon preparation according to claim 3, characterized in that: The electron-rich nitrogen-containing group set includes at least pyridyl, imidazole and bipyridyl.
5. The palladium catalyst recovery control method for the preparation of deuterated aromatic hydrocarbons according to claim 3, characterized in that: The set of interactive groups includes at least carboxylic acid groups, sulfonic acid groups and phosphonic acid groups.
6. The palladium catalyst recovery control method for the preparation of deuterated aromatic hydrocarbons according to claim 1, characterized in that: The anchoring pretreatment refers to anchoring the N, C ligand-chelated palladium species in a highly dispersed state inside and on the surface of the target carrier through a predetermined process, and utilizing the interactive groups in the target ligand to enhance the anchoring of the target species.
7. The palladium catalyst recovery control method for the preparation of deuterated aromatic hydrocarbons according to claim 1, characterized in that: The optimal recovery condition scheme refers to a reaction temperature of 50-60° C. and a reaction time of 3 to 4 hours.
8. The palladium catalyst recovery control method for the preparation of deuterated aromatic hydrocarbons according to claim 7, characterized in that: Obtaining an optimal recovery condition scheme, and controlling and adjusting the recovery reactor according to the optimal recovery condition scheme and the anchoring carrier to obtain a recovery reaction product, including: formulating a first recycling condition according to the optimal recycling condition scheme; Performing simulated recycling on the first recycling condition to obtain a first simulation record; Performing a weighted calculation on the first simulation system stability coefficient and the first simulated deuteration reaction efficiency in the first simulation record to obtain a first conditional fitness; Taking the maximum fitness of the first condition as the goal, the optimal recycling condition is obtained by searching for the best condition; The recovery reactor is subjected to reaction control adjustment based on the optimal recovery conditions.
9. The palladium catalyst recovery control method for the preparation of deuterated aromatic hydrocarbons according to claim 1, characterized in that: Introducing a post-processing mechanism to post-process the recovered reaction product to achieve the recovery of the palladium catalyst, comprising: Extracting the high-speed centrifugation post-processing strategy from the post-processing mechanism; Post-processing the recovered reaction product according to the high-speed centrifugal separation post-processing strategy to achieve preliminary recovery of the palladium catalyst; Based on the preliminary recovery of the palladium catalyst, the multi-stage countercurrent filtration and washing post-processing strategy in the post-processing mechanism is extracted; Post-processing the recovered reaction product according to the multi-stage countercurrent filtration and washing post-processing strategy to achieve recovery of the palladium catalyst; Among them, the high-speed centrifugation post-processing strategy refers to a rotation speed of not less than 10,000 rpm and a time of 10 to 15 minutes to achieve a preliminary recovery of more than 80% of the palladium catalyst. The multi-stage countercurrent filtration washing post-processing strategy uses a mixed system of polar solvents and non-polar solvents as a washing liquid to gradiently remove residual organic matter.
10. A palladium catalyst recovery and control system for the preparation of deuterated aromatic hydrocarbons, characterized in that: A system for implementing the palladium catalyst recovery control method for the preparation of deuterated aromatic hydrocarbons according to any one of claims 1 to 9, comprising: A matching module, configured to perform traversal matching on a carrier database using the palladium catalyst as a matching constraint to obtain a target carrier; A pre-processing module, configured to obtain a target ligand and perform anchoring pre-processing on the target carrier in conjunction with the target ligand to obtain an anchored carrier; An adjustment module is used to obtain an optimal recovery condition scheme, and control and adjust the recovery reactor according to the optimal recovery condition scheme and the anchoring carrier to obtain a recovery reaction product; The post-processing module is used to introduce a post-processing mechanism to post-process the recovery reaction product to achieve the recovery of the palladium catalyst.