Patent ID: 11971340
Assignee: NANJING TECH UNIVERSITY
Field: Chemical engineering (Chemistry)
Classification: CPC G  B  C | IPC B  C  G

Claim 0:
1. A method for predicting a lattice defect in a metal-organic framework membrane, comprising the following steps:
acquiring a number n of a ligand during preparation of the metal-organic framework membrane, and acquiring a theoretical number m of connections formed between a core secondary building unit and a surrounding secondary building unit;
setting a number of collisions of the ligand with the core secondary building unit and the surrounding secondary building unit; and
calculating an expected value of a number of connections formed on lattices based on a collision probability;
wherein the number of collisions is 1 or 2;
when the number of collisions is 1, the expected value of the number of connections is calculated by the following formula:, P
       ⁢
       
        (
        k
        )
       
      
      =
      
       
        
         C
         m
         k
        
        ⁢
        
         C
         
          n
          -
          1
         
         
          k
          -
          1
         
        
       
       
        C
        
         m
         +
         n
         -
         1
        
        
         m
         -
         1
        
       
      
     
     ,
     
      1
      ≤
      k
      ≤
      m
     
    
   
  
  
   
    
     
      
       E
       ⁢
       
        (
        k
        )
       
      
      =
      
       
        ∑
        
         k
         =
         1
        
        m
       
       
        k
        ⁢
        
         P
         ⁡
         (
         k
         )
        
       
      
     
     ,
     
      1
      ≤
      k
      ≤
      m
     
    
   
  
 

wherein k represents an actual number of connections formed between the core secondary building unit and the surrounding secondary building unit of the metal-organic framework membrane when the number of collisions is 1; and
when the number of collisions is 2, the expected value of the number of connections is by the following formula:, P
        ~
       
       ⁢
       
        (
        L
        )
       
      
      =
      
       
        
         ∑
         
          k
          ≤
          L
         
        
        
         P
         ⁢
         
          (
          k
          )
         
         ⁢
         W
         ⁢
         
          (
          k
          )
         
        
       
       =
       
        
         
          ∑
           
         
         
          k
          ≤
          L
         
        
        ⁢
        
         
          
           C
           m
           k
          
          ⁢
          
           C
           
            n
            -
            1
           
           
            m
            -
            1
           
          
         
         
          C
          
           n
           +
           m
           -
           1
          
          
           m
           -
           1
          
         
        
        ×
        
         
          
           C
           
            m
            -
            k
           
           
            L
            -
            k
           
          
          ⁢
          
           C
           
            n
            -
            1
           
           
            L
            -
            1
           
          
         
         
          C
          
           n
           -
           k
           +
           m
           -
           1
          
          
           m
           -
           1
          
         
        
       
      
     
     ,
     
      1
      ≤
      k
      ≤
      L
      ≤
      m
     
    
   
  
  
   
    
     
      
       
        E
        ~
       
       ⁢
       
        (
        L
        )
       
      
      =
      
       
        ∑
        
         L
         =
         1
        
        m
       
       
        
         LP
         ~
        
        ⁢
        
         (
         L
         )
        
       
      
     
     ,
     
      1
      ≤
      k
      ≤
      L
      ≤
      m
     
    
   
  
 

wherein L represents an actual number of connections formed between the core secondary building unit and the surrounding secondary building unit of the metal-organic framework membrane when the number of collisions is 2.