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A method for predicting the release effect of multifunctional mtv-mofs materials on guest molecules

A technology of guest molecules and multifunctional groups, which is applied in the fields of instruments, computing, and electrical digital data processing, etc., can solve problems such as difficult control, single energy level structure, and difficulty in analyzing the laws of host and guest

Active Publication Date: 2019-08-20
WUHAN UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

The main reason for this lack of research is that the materials used to study the relationship between the host and the guest and their energy level structure are single, the data obtained are limited and the variables are not easy to control, and it is difficult to analyze the law of the host-guest interaction.

Method used

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  • A method for predicting the release effect of multifunctional mtv-mofs materials on guest molecules
  • A method for predicting the release effect of multifunctional mtv-mofs materials on guest molecules
  • A method for predicting the release effect of multifunctional mtv-mofs materials on guest molecules

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Experimental program
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Embodiment Construction

[0036] To make the present invention easier to understand, specific embodiments of the present invention will be further described below.

[0037] 1. Preparation of MTV-MOFs with a single functional group:

[0038] Terephthalic acid and 2-aminoterephthalic acid are added to N,N-dimethylformamide together with ferric chloride hexahydrate in a certain molar ratio, and then heated, centrifuged, refluxed, and dried to obtain MIL- 101(Fe)-(NH 2 ) x sample;

[0039] Add terephthalic acid and 1,4-naphthalenedibenzoic acid to N,N-dimethylformamide together with ferric chloride hexahydrate in a certain molar ratio, and then heat, centrifuge, reflux, and dry to obtain MIL -101(Fe)-(C 4 H 4 ) x sample;

[0040] 2. Preparation of MTV-MOFs materials containing multifunctional groups:

[0041] Add 2-aminoterephthalic acid and 1,4-naphthalenedibenzoic acid to N,N-dimethylformamide together with ferric chloride hexahydrate in a certain molar ratio, and then heat, centrifuge, reflux and dry , Get MIL...

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Abstract

By utilizing a Weibull model and an Arrhenius formula, a quantitative relationship between interaction between functional groups in a metal-organic frame material and the guest molecules, and functional group distribution in the metal-organic frame material is derived, so that the release effect of the MOFs material on the guest molecules is quantized and predicted; and according to a prediction result, early material structure design can be carried out, so that the obtained material achieves the required release effect.

Description

Technical field [0001] The invention belongs to the technical field of using metal-organic framework materials for guest release, and in particular relates to a method for predicting the release effect of multifunctional MTV-MOFs (multi-component-metal organic framework materials) on guest molecules. Background technique [0002] Metal-organic frameworks [metal-organic frameworks, also known as metal-organic frameworks, metal-organic frameworks, metal-organic complexes or coordination polymers] are a new type of crystalline porous material that has been researched in the past two decades. , It has excellent properties such as large specific surface area, adjustable pore size, designable topological structure and easy-to-modify pore chemical environment. The rich and variable multifunctional groups contained in multi-component metal-organic framework materials (MTV-MOFs) have been applied in many fields, such as gas adsorption (D.Zhao, DJTimmons, D.Yuan, HCZhou, Acc.Chem) .Res.20...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G06F17/50
Inventor 邓鹤翔董志月孙杨泽晟
Owner WUHAN UNIV