13 results about "Solvent molecule" patented technology

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.

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.

This invention discloses a method for preparing krill oil with high phospholipid content, comprising the following steps: 1) mixing Antarctic krill oil with 90% ethanol, adding lipase B to react, enzymatically hydrolyzing the triglycerides in the Antarctic krill oil to release free fatty acids, which then combine in situ with ethanol to form fatty acid ethyl esters; 2) removing the solvent by rotary evaporation under reduced pressure; 3) removing the fatty acid ethyl esters by molecular distillation. Through this method, an Antarctic krill oil concentrate with a phospholipid content of over 90% is obtained. The entire process effectively avoids the damage to phospholipids and active ingredients caused by high temperature and oxidation. This invention does not use potentially harmful organic substances in the preparation process, ensuring the product's safety and reliability, and its applicability in food or pharmaceutical preparation. The preparation process of this invention is simple and suitable for large-scale industrial application.

The invention provides a method for refining lactide, which comprises the following steps: mixing crude lactide with a mixed solvent which is a mixture of a benign lactide solvent and a poor lactide solvent, fully dissolving the mixture, separating solid from liquid after the benign lactide solvent accounts for 0.2-10wt% of the mixed solvent, washing the solid with low-carbon alcohol, and drying the washed solid to obtain the high-purity lactide. And drying to obtain a lactide product. According to the method, the structural similarity of solvent molecules and solute molecules is utilized, lactic acid, lactic acid polymers, pigments and other impurities in crude lactide are dissolved by using a poor solvent of lactide, and m-lactide is dissolved by using a small amount or a trace amount of a good solvent, so that the loss of the product lactide is reduced to the minimum; the mixed solvent can remove impurities except for the lactide product at one time, the obtained primarily refined lactide can be obtained more simply, the optical purity of the primarily refined lactide can reach 99.0% or above, and the yield of the lactide can reach 97% or above.

The application relates to the technical field of lithium metal batteries, and discloses an electrolyte suitable for extreme working conditions, a lithium metal battery and application of the electrolyte. The electrolyte suitable for extreme working conditions is composed of a lithium salt, a main solvent and a fluorinated ether diluent, the main solvent is an ether solvent with a side chain methyl, the molar concentration of the lithium salt is 0.8-1.5 mol / L, and the volume ratio of the main solvent to the fluorinated ether diluent is 1:0.5-2. ‑1 The electrolyte system disclosed by the application not only reduces the direct chemical corrosion of the fluorinated diluent TTE on lithium metal, but also significantly inhibits the oxidative decomposition of solvent molecules on the positive electrode surface under high pressure through the weak solvation characteristics and moderate anion coordination of DMP; the electrolyte system realizes the synergistic regulation of the solvation structure of lithium ions, the interface film forming behavior and the ion transport kinetics, in-situ constructs a SEI / CEI interface film layer rich in inorganic components and mechanically stable on the surface of a lithium metal negative electrode and a high-nickel positive electrode, and fundamentally inhibits the growth of lithium dendrites, slows down the degradation of the positive electrode structure and reduces the interface side reaction rate.

This invention belongs to the field of efficient coal conversion and utilization technology, specifically a method for modifying coal using a solvothermal method and the modified coal. Coal is mixed with an organic solvent in a sealed container for heat treatment, followed by vacuum distillation to remove the solvent. After cooling, modified coal is obtained. During the heat treatment, solvent molecules penetrate and act on the macromolecular network of the coal, selectively breaking weak chemical bonds such as aliphatic side chains and ether bonds. This moderately dissociates and activates the inherent three- to five-ring aromatic clusters in the coal, forming a colloidal precursor rich in active small molecules. Then, direct vacuum distillation occurs, resulting in mild structural rearrangement and physical cross-linking, ultimately forming a uniform, dense, and highly adhesive solid modified coal product.

This invention discloses a porous framework material based on a carborane framework, its preparation method, and its applications. The porous framework material is obtained by coordinating a metal ion M with a carboxylated carborane to form a two-dimensional planar structure, and then using an organic nitrogen-containing ligand as a pillar to form a three-dimensional framework structure; the metal ion M is selected from Cu. 2+ Zn 2+ Ni 2+ Co 2+ At least one of the following: the carboxycarborane is selected from at least one of para-carboxycarborane and meta-carboxycarborane; the organic nitrogen-containing ligand is selected from at least one of 1,4-diazabicyclo[2.2.2]octane, pyrazine, 4,4'-bipyridine, and piperazine. Preparation method: The salt containing metal ion M, the carboxycarborane, and the organic nitrogen-containing ligand are reacted in a solvent at 50-100℃ to obtain a solid product; the solid product is placed in methanol for one or more solvent exchanges to remove solvent molecules, and then vacuum degassing and activation are performed to remove methanol molecules from the channels to obtain a porous framework material.

This invention discloses a solute-solvent interaction prediction method based on conditional causal subgraph recognition, belonging to the interdisciplinary field of artificial intelligence and cheminformatics. The method includes: constructing molecular node representations of the solute and solvent respectively; using the solvent molecular structure as a conditional constraint to conditionally model the influence of different structural units in the solute molecule on the prediction of target properties, obtaining candidate solute causal subgraphs and their complementary spurious solute correlation subgraphs; verifying the candidate solute causal subgraphs and performing denoising and information compression; and obtaining the solute-solvent interaction prediction result based on the solute causal subgraph and the solvent molecular structure. This invention can identify, verify, and model key substructures in the solute molecule that play a stable and decisive role in the target properties under specific solvent conditions while maintaining computational efficiency, thereby improving the stability and reliability of the prediction results in complex solvent systems and diverse application scenarios.

A high-toughness high-transparency solvent-resistant SAN / PA alloy material and a preparation method and application thereof. The transparent SAN / PA alloy material comprises: SAN resin 40-70 parts, MBS resin 10-25 parts, polyamide resin 5-20 parts, and compatibility agent 0.5-3 parts; the refractive index of the SAN resin is 1.65-1.66; the refractive index of the MBS resin is 1.52-1.53; and the refractive index of the transparent polyamide is 1.53-1.56. The transparent SAN / PA alloy material has high transparency, and the introduction of the PA resin with strong polarity can effectively hinder the penetration of solvent molecules and has strong solvent resistance, so that the product has high transparency, toughness and solvent resistance.

The application provides a molecular simulation method for the mechanism of drilling fluid treating agent / solvent, comprising the following steps: constructing a drilling fluid treating agent / solvent binary system model; determining force field parameters and simulation parameters of the drilling fluid treating agent and the solvent molecules; sequentially performing dynamic equilibrium of the drilling fluid treating agent / solvent binary system under NVT ensemble and NPT ensemble according to the force field parameters and the simulation parameters; after the drilling fluid treating agent / solvent binary system reaches the specified temperature and pressure parameters, performing molecular dynamics simulation on the drilling fluid treating agent / solvent binary system under NPT ensemble, taking the last trajectory file to calculate dynamic parameters, and completing the micro evaluation of the drilling fluid treating agent binary system. The application can characterize the law of the interaction between the water-based drilling fluid treating agent and water molecules under high temperature and high pressure conditions from the atomic scale, and can in-situ characterize the micro dynamics of the treating agent molecules under high temperature environment, thereby reducing the experimental cost.

The application discloses a method and device for preparing dense single-crystal metal powder by microwave-assisted spray pyrolysis, and relates to the technical field of powder material preparation. The application establishes an inside-out heat flow field through the penetrating heating of the microwave on the polar solvent molecules in the liquid drops. Under the traditional heat conduction, the evaporation rate of the liquid drop surface is much greater than the internal solute diffusion rate, so that the Peclet number is greater than 1, thereby causing the surface supersaturation crust. The diffusion rate of the solute to the center is significantly improved by using the microwave coupling effect, so that the Pe number is forced to be below 0.5. The 'bulk phase shrinkage' mode forces the solute to continuously converge to the geometric center of the liquid drop during the solvent evaporation process, which helps to eliminate the 'hollow ball' morphology, and the solid precursor particles with extremely high density are obtained.

The application discloses a monoclinic phase BiVO4 micropipe prepared by a microwave radiation method and a preparation method thereof. Pure Bi(NO3)3.5H2O and NH4VO3 are used as reaction raw materials, distilled water is used as a solvent, polyethylene glycol (PEG-10000) with a molecular weight of 10000 is used as a surfactant, and a monoclinic phase BiVO4 micropipe material is prepared by using a microwave radiation technology. The microwave radiation process is simple in operation, energy-saving and environment-friendly, low in energy consumption, and energy-concentrated, and is favorable for improving a reaction rate and a synthesis efficiency of the BiVO4 material. The XRD and SEM analysis results of the product fully prove that the method can obtain the BiVO4 material with regular morphology and small particle size, is favorable for increasing active sites of the BiVO4 material, and thus improves the photocatalytic performance of the BiVO4 material. The target product BiVO4 material has the abilities of catalytic degradation of pollutants, catalytic photoelectrochemical decomposition of water and energy storage, and is expected to play an important role in the field of photocatalysis.