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100 results about "Solvent molecule" patented technology

Solvent Molecules. What is a Solvent? A solvent is a liquid that dissolves a solute. The solvent is the component of a solution that is present in greater amount. Perhaps the most common solvent in everyday life is water. Many other solvents are organic compounds, such as benzene, tetrachloroethylene, or turpentine.

Cd (II)-based metal organic framework crystalline material as well as preparation method and application thereof

The invention relates to the technical field of fluorescence sensing development, in particular to a Cd (II)-based metal organic framework crystalline material as well as a preparation method and application thereof. The chemical formula of the Cd (II)-based metal organic framework crystalline material is {[Cd3 (H2O) 2 (DMA) 2 (5-CMOIA) 2]. 6 / 5H2O} n, the organic framework material is characterized by an X-ray single crystal diffractometer, and the result shows that the organic framework material is crystallized in a triclinic system P-1 space group, the asymmetric unit of the organic framework material is composed of three Cd (II) ions, three Cd (II) ions, three Cd (II) ions, three Cd (II) ions, three Cd (II) ions, three Cd (II) ions, three Cd (II) ions, three Cd (II) ions, three Cd (II) ions, three Cd (II) ions, three Cd (II) ions, three Cd (II) ions, three Cd (II) ions and three The complex is composed of two deprotonated (5-CMOIA) 3-ligands, two coordinated DMA solvent molecules, two coordinated water molecules and six fifths of crystal water molecules. The solid fluorescence spectrum of the Cd (II)-based metal organic framework crystalline material is measured, the fluorescence response of the Cd (II)-based metal organic framework crystalline material to metal ions in a solution is explored, and the result shows that the Cd (II)-based metal organic framework crystalline material can effectively recognize Hg < 2 + > from different ions and can be applied to the field of fluorescence sensing.
Owner:SHAANXI SCI TECH UNIV

Liquid Electrolytes Comprising Ionic Liquids for Lithium-Metal Battery Modules

Described herein are lithium-metal rechargeable electrochemical cells comprising a lithium-metal negative electrode, a positive electrode, and a liquid electrolyte. The liquid electrolyte comprises a core mixture and a diluent. The diluent comprises a fluorinated ether. The core mixture comprises a set of salts and a set of solvents. The set of solvents comprises a pyrrolidinium-containing ionic liquid and a molecular solvent. The molecular solvent is a non-fluorinated ether, for example including but not limited to 1,2-dimethoxyethane. In some examples, the electrolyte further comprises an electrolyte additive, for example including but not limited to tris(trimethylsilyl)phosphate. In some examples, the set of salts comprises one or more imide-containing lithium salts. In some examples, the set of salts comprises lithium bis(fluorosulfonyl)imide and an additional salt and the mole fraction of lithium bis(fluorosulfonyl)imide in the set of salts is 0.5 or greater.
Owner:CUBERG INC

Alkynyl functionalized hydrogen bond organic framework material for efficient reverse separation of propylene / propane as well as preparation method and application of alkynyl functionalized hydrogen bond organic framework material

The invention discloses an alkynyl functionalized hydrogen bond organic framework (HOF) material for efficient reverse separation of propylene / propane as well as a preparation method and application of the alkynyl functionalized hydrogen bond organic framework (HOF) material. The preparation method comprises the following steps: dissolving a tetracarboxylic acid type organic ligand H4L in a benign organic solvent to obtain an H4L solution, then placing the H4L solution in a poor solvent steam atmosphere, and obtaining an HOF material through a gas phase diffusion method; after a low-boiling-point reagent is adopted to carry out solvent exchange on the HOF material, solvent molecules in pore channels of the HOF material are removed through an activation method, and then the alkynyl functionalized HOF material for propylene / propane efficient reverse separation is obtained. The material shows the characteristics of high propane adsorption capacity, excellent propylene / propane reverse separation performance, good cycle performance, easy repair and reproducibility, fills the technical blank of the HOF material in the field of efficient reverse separation of propylene / propane mixed gas, and provides a brand new thought and technical support for research and development in the field of light hydrocarbon separation.
Owner:ZHEJIANG UNIV

Preparation method and application of polymer membrane based on solvent in-situ functionalization enhancement

The invention discloses a preparation method and application of a polymer membrane based on solvent in-situ functionalization enhancement. The method comprises the following steps: dissolving a polymer raw material by adopting a polymerizable solvent to form a homogeneous membrane casting solution; then synchronously carrying out ultraviolet light induced polymerization on the residual solvent in the membrane in the membrane casting liquid phase separation forming process by utilizing a constant-temperature circulating coagulating bath carrying an ultraviolet light illumination system; performing drying treatment to obtain a flat plate / hollow fiber composite membrane; the method is applied to the aspects of seawater desalination, wastewater treatment, food processing, biological medicine, energy chemical industry and the like. By utilizing dual functions of the solvent, polymerized solvent molecules and macromolecular chains form a stable cross-linked interpenetrating network structure, functional design of the membrane is realized through customizability of the solvent, functionalization enhancement of the membrane is realized while the process is simplified, ultraviolet polymerization synchronously optimizes phase separation kinetics, and the performance of the membrane is improved. Uniform surface pore size distribution and efficient mass transfer channels are formed, and the advantages of high efficiency and customizability are shown.
Owner:ZHEJIANG SCI-TECH UNIV +1

Self-healing electrolyte for decoupling mechanical strength and conductivity and preparation method of self-healing electrolyte

The invention belongs to the technical field of batteries, and discloses a self-healing electrolyte for decoupling mechanical strength and conductivity and a preparation method thereof. The self-healing electrolyte with the mechanical strength and the conductivity decoupled comprises a polymer skeleton and solvent molecules used for transmitting lithium ions, the polymer skeleton is formed by copolymerizing two monomers, namely methacrylamide for providing a hydrogen bond donor and methyl methacrylate for providing a hydrogen bond acceptor according to a certain proportion in a free radical polymerization manner under the action of an initiator; the solvent molecule is fluorocyclopropionitrile capable of competing for lithium ions on a polymer chain. Before polymerization, a polymer monomer, an initiator and solvent molecules are mixed according to a certain proportion, lithium salt is added, and the solvent molecules are locked in a polymer skeleton in an in-situ polymerization mode. The gel electrolyte provided by the invention has the advantages of high conductivity, high mechanical strength and certain self-healing capability, and can be used for lithium ion batteries and lithium metal batteries.
Owner:HUAZHONG UNIV OF SCI & TECH

Low-concentration ether electrolyte adaptive to high-voltage high-nickel ternary lithium ion battery, preparation method of low-concentration ether electrolyte and lithium ion battery

The invention discloses a low-concentration ether electrolyte adaptive to a high-voltage high-nickel ternary lithium ion battery, a preparation method of the low-concentration ether electrolyte and the lithium ion battery, and relates to the technical field of batteries. The ether electrolyte comprises a solvent and a solute; the solvent comprises an ether solvent, and is specifically at least one of 4-cyano tetrahydropyran, 2-(tetrahydro-2H-pyran-4-yl) acetonitrile, 2-methoxyacetonitrile, 2-ethyoxyl acetonitrile, 3-methoxypropionitrile, 3-ethyoxyl propionitrile, 3-butoxyl propionitrile, ethylene glycol bis (propionitrile) ether and 3-{2-[2-(2-cyano ethyoxyl) ethyoxyl] ethyoxyl} propionitrile. The ether solvent contains cyano groups, the strong electronegativity of the cyano groups enables the cyano groups to be coordinated with transition metal ions in the ternary material, and the cyano groups are preferentially adsorbed at the interface of the positive electrode material, so that the arrangement of solvent molecules at the interface has directivity, the proportion of ether oxygen bonds and carbon hydrogen atoms in double electric layers is reduced, and the performance of the positive electrode material is improved. And the sites which are easy to generate dehydrogenation reaction in the molecules are far away from the high-voltage positive electrode interface which is easy to generate oxidation reaction.
Owner:SOUTHERN UNIVERSITY OF SCIENCE AND TECHNOLOGY

Perovskite material solution, perovskite film and preparation method and application thereof

The invention discloses a perovskite material solution, a perovskite film and a preparation method and application thereof, and the preparation method of the perovskite material solution uses a high-boiling-point solvent as an independent additive, specifically, after a perovskite precursor is completely dissolved and filtered, the high-boiling-point solvent (a single or composite system) is quantitatively added, and the perovskite material solution is prepared. Subsequent preparation of the perovskite film can achieve the following effects by accurately controlling the vacuumizing rate and the processing time: (1) the crystallization window period is prolonged due to the slow evaporation characteristic of the high-boiling-point solvent, perovskite crystal grains are promoted to grow orderly, a uniform and compact film microstructure is formed, internal stress accumulation caused by rapid crystallization is effectively relieved, and the performance of the perovskite film is improved; the cracking risk is obviously reduced; and (2) solvent molecules are preferentially enriched in a grain boundary region in a deposition process, and uncoordinated Pb < 2 + > defects are passivated through coordination, so that the defect density of the thin film is reduced, and the photoelectric conversion efficiency of a device is improved.
Owner:GUANGDONG MINGYANG FILM TECH CO LTD

Method for predicting lignin separation and extraction effect of eutectic solvent based on machine learning

The invention discloses a method for predicting the lignin separation and extraction effect of a deep-eutectic solvent based on machine learning. The method comprises the following steps: constructing a sample database containing characteristic parameters such as hydrogen bond acidity, hydrogen bond alkalinity and polar surface area of the deep-eutectic solvent and a lignin removal rate; based on a solvent molecular structure, key characteristic variables influencing the lignin removal rate are extracted; a Stacking integration algorithm is adopted, Xgboost, RF and SVM are taken as base learners, CNN is taken as a meta learner, and a machine learning prediction model taking the removal rate as a target variable is constructed; performing hyper-parameter tuning by adopting five-fold cross validation, and constructing a machine learning prediction model; explaining the model by using an SHAP method, generating a feature importance ranking map and an SHAP value distribution map, and intuitively displaying the influence of key variables on the lignin extraction removal rate; finally, the lignin removal effects of different eutectic solvent systems are predicted through a machine learning model, and the solvent composition proportion is adjusted in combination with feature analysis so as to optimize the separation process.
Owner:KUNMING UNIV OF SCI & TECH

Molecular solvation free energy prediction method based on machine learning

The invention discloses a method for predicting molecular solvation free energy based on machine learning, relates to the technical field of computational chemistry, and solves the technical problem that a molecular dynamics method consumes a large amount of computing resources and time. The method comprises the following steps: using SMILES formulas of solute molecules and solvent molecules as input data; converting the SMILES formula into a one-dimensional descriptor, a two-dimensional descriptor and a three-dimensional descriptor of a molecule based on an RDKit tool; based on an open source experiment data set, training a machine learning model through an association relationship between a one-dimensional descriptor, a two-dimensional descriptor and a three-dimensional descriptor of a molecule and experiment solvation free energy to obtain a prediction model; and inputting molecular descriptors of solute molecules and solvent molecules into the prediction model to obtain a result of predicting solvation free energy of the solute molecules. Existing molecular dynamics simulation is replaced by the machine learning model, and meanwhile, model training is performed by adopting a machine learning algorithm and experimental data, so that the accuracy and the stability of a prediction result are improved.
Owner:UESTC (SHENZHEN) ADVANCED RES INST +1

Method for in-situ preparation of covalent organic framework mixed matrix membrane and application

The invention relates to the technical field of gas separation membranes, in particular to a method for in-situ preparation of a covalent organic framework (COFs) mixed matrix membrane in a polymer matrix and application of the covalent organic framework (COFs) mixed matrix membrane in CO2 separation. According to the method, a COFs precursor is directly introduced into a polymer matrix, and a solvent molecule is utilized to promote the precursor to generate a Schiff base reaction, so that in-situ generation of COFs nanoparticles in the polymer matrix is realized, and the covalent organic framework mixed matrix membrane is prepared. The method provided by the invention not only promotes the uniform dispersion of COFs in a polymer matrix, but also significantly enhances the interfacial compatibility between COFs and the polymer matrix, and the prepared membrane material shows excellent long-term stability. The method is simple in process, and the prepared covalent organic framework mixed matrix membrane has important application potential in the field of CO2 separation.
Owner:HUNAN UNIV

Piezoelectric dissimilar metal co-doped titanium-oxygen cluster compound as well as preparation method and application thereof

The invention discloses a piezoelectric dissimilar metal co-doped titanium-oxygen cluster compound as well as a preparation method and application thereof, and relates to the field of materials. The molecular formula of the piezoelectric dissimilar metal co-doped titanium-oxygen cluster compound is H2Ti26Pb10 (mu4-O) 4 (mu3-O) 34 (mu2-O) 6Bz38. 6MeCN. 2 (C4H9ON), and the molecular formula of the piezoelectric dissimilar metal co-doped titanium-oxygen cluster compound is Ti26Pb10, and the molecular formula of the piezoelectric dissimilar metal co-doped titanium-oxygen cluster compound is Ti26Pb10. Wherein mu3-O represents a three-bridged O atom, mu2-O represents a two-bridged O atom, mu4-O represents a four-bridged O atom, Bz represents a benzoic acid ligand, MeCN represents an acetonitrile solvent molecule, and C4H9ON represents a morpholine solvent molecule. The adopted preparation method is simple, raw materials are easy to obtain, aftertreatment is simple, pollution is little, and the green and environment-friendly requirements are met. The piezoelectric dissimilar metal co-doped titanium-oxygen cluster compound prepared by the preparation method disclosed by the invention is relatively high in stability, has piezoelectric activity and has a relatively high degradation rate on antibiotics.
Owner:SHANDONG UNIV

Porous framework material, preparation method thereof and application of porous framework material in separation and purification of hexafluoroethane

The invention discloses a porous framework material, a preparation method thereof and hexafluoroethane separation and purification application. The porous framework material is obtained by reacting and coordinating raw materials including Al < 3 + > and m-carborane dicarboxylic acid; in the porous framework material, Al < 3 + > is coordinated with hydroxyl OH and carboxyl O to form a cis-[Al (OH) (COO) 2] aluminum oxygen cluster structure. The preparation method comprises the following steps: carrying out a sealed reaction on a salt containing Al < 3 + > and m-carborane dicarboxylic acid in a solvent at 50-100 DEG C, placing the obtained solid product in methanol, carrying out one or more times of solvent exchange to remove solvent molecules, and then carrying out vacuumizing, degassing and activating to remove methanol molecules in pore channels to obtain the porous framework material. The pore size of the porous framework material is matched with the dynamic diameter of hexafluoroethane, weak adsorption sites are densely distributed on the surface of the porous framework material by introducing carborane, and high-capacity hexafluoroethane is realized while good selectivity and deep removal are shown.
Owner:ZHEJIANG NORMAL UNIV

Asphalt-based composite hard carbon material and preparation method thereof

The invention relates to an asphalt-based composite hard carbon material and a preparation method thereof. The hard carbon material is prepared from the following raw materials: asphalt, a solvent A and a solvent B, the preparation method comprises the following steps: crushing the asphalt; then carrying out pre-oxidation crosslinking treatment; then washing and removing impurities; mixing the pre-oxidized asphalt with a solvent A and a solvent B to embed molecules of the solvent A into graphite layers of the pre-oxidized asphalt; then, the asphalt is dried in a segmented drying mode; and finally, carrying out carbonization treatment under an inert protective atmosphere or a vacuum condition, and cooling to room temperature to obtain the asphalt-based composite hard carbon material. Oxidized and crosslinked asphalt is mixed with an embedded solvent, part of solvent molecules are embedded into a graphite microcrystal part of an asphalt material by wet ball milling or soaking, and a carbon layer in a microcrystal region and the content of oxygen-containing functional groups are increased through the embedded solvent, so that a sodium ion diffusion channel is expanded, and the composite material has relatively high reversible specific capacity; and the high-performance composite hard carbon negative electrode material can be obtained.
Owner:GUANGDONG UNIV OF PETROCHEMICAL TECH

Application of eutectic solvent in graphite purification and graphite purification method

The invention relates to the field of deep processing of graphite materials, in particular to application of a deep eutectic solvent in graphite purification and a graphite purification method. According to the preparation method, the eutectic solvent and the graphite oxide are subjected to mixed reaction, and eutectic solvent molecules and oxygen-containing functional groups on the surface of the graphite oxide form strong hydrogen-bond interaction through rich hydrogen bond sites in the reaction process, so that on one hand, a graphite oxide sheet layer can be further stripped; on the other hand, impurities such as metal cations (such as K, Na, Ca and Mg) embedded between graphite layers can be effectively complexed and extracted, a soluble complex is formed, and therefore efficient separation of the impurities and a graphite framework is achieved. The fixed carbon content of the graphite material obtained through the technical means can reach 98% or above, and preferably, when hydrogen bond donors in the eutectic solvent are ethylene glycol and urea, the fixed carbon content can reach 99% or above.
Owner:HEILONGJIANG UNIVERSITY OF SCIENCE AND TECHNOLOGY

Processing method and device for predicting photoelectric characteristics of solvent molecules

The embodiment of the invention relates to a processing method and device for predicting photoelectric characteristics of solvent molecules. The method comprises the following steps: constructing a deep learning model for predicting various photoelectric characteristics of the solvent molecules, and recording the deep learning model as a corresponding multi-task prediction model; constructing a model training data set and recording the model training data set as a corresponding first data set; training the multi-task prediction model based on the first data set; after model training is finished, solvent optimization processing is conducted on batch optimization tasks input by the user through the multi-task prediction model, and a processing result is fed back to the current user. The method can reduce the analysis complexity, shorten the analysis time, improve the analysis efficiency and improve the prediction accuracy.
Owner:BEIJING DP TECH CO LTD

Solid fluorescent material based on tetraphenylethylene derivative and application of solid fluorescent material in water content detection

The invention discloses a solid fluorescent material based on a tetraphenylethylene derivative and application of the solid fluorescent material in water content detection. On the basis of the special structure and functional design of a hydrogen bond organic framework, the spatial distribution and interaction mode of structural solvents (such as dimethyl sulfoxide and DMSO) and adsorption solvents (such as methanol, water and acetone) in the framework are accurately controlled, and on the premise that the integrity of a crystal structure is kept, the preparation method is simple and easy to implement. And reversible exchange and real-time optical monitoring of solvent molecules in the pore channels are realized. The material can generate obvious fluorescence color change (467-602nm) along with the change of the environmental water content, and has the advantages of high response speed, high sensitivity, good thermal stability and good recycling performance.
Owner:ANHUI UNIV

Method, device and equipment for generating solvate prediction model and application thereof

The application provides a solvent complex prediction model generation method, device and equipment and a solvent complex prediction method, device, equipment and computer readable storage medium based on the solvent complex prediction model. The solvent complex prediction model generation method comprises: obtaining training data, wherein the training data comprises positive samples and negative samples, the positive samples comprise a plurality of small molecule compounds and information of solvent molecules capable of forming solvent complexes with the plurality of small molecule compounds respectively, the negative samples comprise a plurality of small molecule compounds and information of solvent molecules incapable of forming solvent complexes with the plurality of small molecule compounds respectively; and an initial neural network model is trained according to the training data to obtain a solvent complex prediction model. The application can efficiently, quickly and at low cost recommend solvent molecules capable of forming solvent complexes for a given small molecule compound.
Owner:SHENZHEN JINGTAI TECH CO LTD

A Class of Asymmetric Dinuclear Dysprosium Single-Molecule Magnets Based on Bisacylhydrazone, Their Synthesis Methods and Relaxation Behaviors

Based on the excellent magnetism, synthetic difficulty and existing scarcity of asymmetric dinuclear dysprosium single-molecule magnets, a class of asymmetric dinuclear dysprosium single-molecule magnets based on bis-acylhydrazone ligands, their synthesis methods and relaxation behaviors are disclosed. Such magnets are prepared by solvothermal reaction of bis(halogen-substituted salicylaldehyde) -2,6-azoxypyridine dicarboxylic acid hydrazone ligand, dysprosium nitrate and triethylamine in a methanol-acetonitrile mixed solvent. Their common structural feature is that the acylhydrazone pockets on both wings of the ligand chelate one Dy<supgt;III< / supgt; ion respectively, and due to the difference in the ligand coordination sites of counter ions and solvent molecules, the coordination geometries of the two Dy<supgt;III< / supgt> ions in the magnet are different, showing a rare asymmetric dinuclear structure based on symmetry bipolar ligands. The alternating current susceptibility of such asymmetric dinuclear dysprosium magnets exhibits frequency-dependent magnetic relaxation phenomena even in zero field, and turns into a double relaxation process under an external magnetic field, possessing the typical characteristics of single-molecule magnets.
Owner:GUILIN UNIVERSITY OF TECHNOLOGY

A binuclear iron-based metal-organic framework material and its preparation method and application

The present invention discloses a binuclear iron-based metal-organic framework material and a preparation method and application thereof, wherein the molecular formula is [Fe2(BPTC)(DMSO)2], wherein BPTC 4‑ To remove the hydrogen atoms on the four carboxyl groups of 3,3',5,5'-biphenyltetracarboxylic acid anion, ferrous chloride tetrahydrate and H4BPTC were added N , N The system is conducive to the growth of Fe-MOF crystalline materials, wherein dimethyl sulfoxide can be used as both a solvent and a coordinating solvent molecule in binuclear iron-based secondary building units. The binuclear iron-based metal-organic framework material has abundant open metal sites and two different pore size structures. The preparation method of the present invention is simple and obtains large single crystals, the product purity is high, and the prepared metal-organic framework material has high C2H2, CO2 adsorption and low CH4 adsorption.
Owner:QUANZHOU XINGCHUANG NETWORK TECH CO LTD

A hydrogen-bonded organic framework material, and a preparation method and application thereof

The application discloses a hydrogen-bonded organic framework material and a preparation method and application thereof; the hydrogen-bonded organic framework material comprises an organic ligand and an organic solvent molecule, and a chemical formula of the hydrogen-bonded organic framework material is [(L) x (G) y ], wherein L is 1,3,6,8-tetra (4-methoxyphenyl) pyrene, G represents a good solvent; x=1-2, and y=1-4. In the HOFs construction, different solvent molecules are introduced, a hydrogen-bonded organic framework material with adjustable multi-color light emitting characteristics of fluorescence and phosphorescence is constructed, the material is controlled from blue light to blue-green light to yellow-orange light, and the fluorescence and the phosphorescence are controlled in the hydrogen-bonded organic material containing different solvents. The application provides a new way for constructing multi-emitting materials by using a single molecule platform.
Owner:WUYI UNIV

Difunctional aqueous zinc ion battery high-voltage electrolyte and preparation method and application thereof

The invention discloses a difunctional aqueous zinc ion battery high-voltage electrolyte and a preparation method and application thereof, and belongs to the technical field of aqueous zinc ion batteries. The electrolyte is prepared from the additive with the structural general formula that R groups are hydroxyl, carboxyl, acetyl and methoxyl, and the additive contains oxygen atom-containing functional groups capable of serving as hydrogen bond acceptors, so that the water-phase solubility of molecules can be remarkably improved, the electrolyte ion concentration can be adjusted through specific interaction with solvent molecules, and the service life of the electrolyte is prolonged. The solvation sheath structure of zinc ions is regulated and controlled by reducing the number of solvent molecules. Meanwhile, the functional group containing the oxygen atom serving as the hydrogen bond acceptor is a strong electron withdrawing group and can interact with water molecules to form intermolecular hydrogen bonds, the oxygen atom can serve as an electron donor, and the hydrogen atom of water serves as a proton donor to destroy the original hydrogen bonds and tetrahedral structures of the water molecules, so that the water molecules can be absorbed. And the formation of a hydrogen bond network of water molecules is blocked, so that the corrosion side reaction and hydrogen evolution behavior caused by water are effectively inhibited.
Owner:GUANGDONG UNIV OF TECH

Ionomer and preparation method thereof, membrane electrode and fuel cell

The invention provides an ionomer and a preparation method thereof, a membrane electrode and a fuel cell, the structure of the ionomer comprises anions, and the polarizability of the anions is greater than or equal to 3.5 * 10 <-24 > cm < 3 >. In the embodiment of the invention, the polarizability of the anion represents the difficulty degree of induced dipole of the electron cloud of the anion under the action of an external electric field; the higher the polarizability is, the higher the electron clouds of the anions are, the stronger induced dipole interaction with the polar alcohol molecules is achieved, and therefore the solvation effect is enhanced. According to the embodiment of the invention, the polarizability of the anion is greater than or equal to 3.5 * 10 <-24 > cm < 3 >, the anion has high polarizability and can form strong induced dipole interaction with alcohol solvent molecules, and the interaction force is beneficial to breaking cohesion among ionomer molecules, so that the ionomer molecules can be more easily dispersed into the solvent, and the ionomer molecules can be more easily dispersed into the solvent. Therefore, the solubility of the ionomer in the alcohol solvent is improved.
Owner:HUIZHOU YIWEI HYDROGEN ENERGY CO LTD

A thermodynamic model for predicting thermodynamic properties of salt solvent systems

The present application belongs to the field of chemical thermodynamics, and particularly relates to a thermodynamic model for predicting the thermodynamic properties of a salt-solvent system. The model first obtains the coordination number n of cations and anions in the salt-solvent system through molecular dynamics simulation, then obtains the initial configuration of the cation-n solvent molecule-anion through configuration optimization, and obtains the most stable structure through quantum chemistry calculation program optimization, and finally obtains the VLE (vapor-liquid equilibrium) data prediction value of the salt-solvent system based on the COSMO-RS theory. The model can obtain the prediction value with high accuracy without experiment, thereby saving a large amount of manpower, material resources and financial resources. Meanwhile, the present application also discloses the phenomenon that the salt in the salt-solvent system is volatile.
Owner:BINZHOU YUNENG CHEM

Chiral rare earth metal polymer and preparation method thereof

The invention discloses a preparation method of a chiral rare earth metal polymer, which specifically comprises the following steps: step 1, preparing 1-(4 '-vinyl-[1, 1'-biphenyl]-4-yl) ethane-1-ketone; step 2, preparing 4, 4, 4-trifluoro-1-(4 '-vinyl-[1, 1'-biphenyl]-4-yl) butane-1, 3-diketone according to the product obtained in the step 1; step 3, preparing chiral-bis (diphenyl phosphino oxygen)-1, 1 '-binaphthalene; 4, preparing a rare earth compound according to the product obtained in the step 2 and the product obtained in the step 3; and 5, preparing the chiral rare earth metal polymer according to the product obtained in the step 4 and methyl methacrylate. The invention also discloses the chiral rare earth metal polymer prepared by the preparation method, and the polymer prepared by the invention not only endows a complex with chiral activity, but also avoids fluorescence quenching of coordination of solvent molecules and Eu < 3 + > ions.
Owner:SHAANXI UNIV OF SCI & TECH

Photonic crystal label with freeze-thaw responsiveness

The invention discloses a photonic crystal label with freeze-thaw responsiveness. The photonic crystal label is prepared from a photonic crystal material with freeze-thaw responsiveness. The photonic crystal material is composed of a liquid photonic crystal assembly with a regular arrangement structure and a continuous phase material. The liquid photonic crystal assembly with the regular arrangement structure is composed of monodisperse micron / nano colloidal particles and solvent molecules which are regularly arranged; gaps of the monodisperse micron / nano colloidal particles are jointly filled with the continuous phase material and the solvent molecules; the continuous phase material is physically crosslinked in a freeze-thaw cycle or is physically crosslinked with the monodisperse micron / nano colloidal particles in the freeze-thaw cycle to irreversibly change the regular arrangement structure. The photonic crystal label provided by the invention has irreversible temperature responsiveness, and whether the freezing and thawing phenomenon exists in the environment where the photonic crystal material is located and the degree can be judged according to the change of the structural color.
Owner:SHENZHEN INST OF ADVANCED TECH

Photovoltaic device, photovoltaic module, power generation apparatus and electric apparatus

PCT designated stageWO2025208796A1Solvent moleculeEnergy conversion efficiency
A photovoltaic device, a photovoltaic module, a power generation apparatus and an electric apparatus. The photovoltaic device comprises a perovskite absorption layer, which comprises a perovskite material and a passivation material, wherein the content of the number of solvent molecules in the perovskite absorption layer is less than or equal to 0.004 on the basis of the number of molecules of the perovskite material. The photovoltaic device has improved energy conversion efficiency and device stability.
Owner:CONTEMPORARY AMPEREX TECHNOLOGY CO LTD

Screening method of solvent in battery

The invention relates to a method for screening a solvent in a battery. Comprising the following steps: S10, constructing a three-dimensional structure model of a plurality of candidate solvent molecules of a battery, obtaining Mulliken charges of the candidate solvent molecules, and obtaining local charges of the candidate solvent molecules; s20, uniformly mixing the plurality of candidate solvents with the halide solid electrolyte to obtain a plurality of electrolytes, and performing experimental measurement on the conductivity of the plurality of electrolytes at room temperature; s30, obtaining the correlation between the conductivity of the plurality of electrolytes and the local charges of the plurality of candidate solvent molecules, and obtaining a local charge reference value; and S40, based on the local charge of the to-be-screened solvent molecule obtained in the step S10, comparing the local charge of the to-be-screened solvent molecule with a local charge reference value, and if the local charge of the to-be-screened solvent molecule is higher than the local charge reference value, determining that the to-be-screened solvent is a target solvent. The invention provides a novel, efficient and accurate screening method for screening the solvent through charge correlation electrolyte and solvent conductivity.
Owner:SUZHOU QINGTAO NEW ENERGY TECH CO LTD

Soluble thermoplastic polyimide resin and preparation method thereof, coating, composite film and flexible copper-clad plate

The invention provides soluble thermoplastic polyimide resin and a preparation method thereof, a coating, a composite film and a flexible copper-clad plate. According to the invention, large-volume functional groups are concentrated in an X chain segment and enter a molecular main chain in the form of a block structure, so that the distance between molecular chains can be further increased, solvent molecules enter wound molecular chain groups, and the effect of increasing the solubility is achieved. Moreover, while the solubility is enhanced, the proportion of large-volume functional group monomers can be reduced by the block structure, and the influence of the large-volume functional group monomers on the flexibility of a molecular main chain is reduced. Therefore, the polyimide resin provided by the invention still has a relatively low glass transition temperature.
Owner:PETROCHINA SHANGHAI ADVANCED MATERIALS RESEARCH INSTITUTE CO LTD +1

A zinc amino acid complex crystal material and its preparation method and application

The present invention belongs to the technical field of crystalline materials, and particularly relates to a zinc amino acid complex crystalline material and a preparation method and application thereof, wherein the chemical molecular formula is [Zn(bib)(NCLA)] n The ligands used are 1,4-bis(1-imidazolyl)benzene and N-benzyloxycarbonyl-L-aspartic acid. The zinc amino acid complex crystal material has a novel structure, and the deprotonated ligand NCLA 2‑ The two carboxyl-COO-groups in the Zn(II) simultaneously connect to form a chain structure, and the adjacent chains are connected by cross-bib ligands to form a 2D layered structure. There are weak intermolecular hydrogen bonds between the 2D layers, forming a three-dimensional framework structure. The zinc amino acid complex crystal material can be used to identify solvent molecules, metal ions and antibiotics.
Owner:DEZHOU UNIV