System and method for determining optimal reaction parameters using continuously running process

Abstract

A reaction system enables a plurality of optimization experiments for a reaction to be performed continuously, to enable optimal reaction parameters to be determined. Dilution pumps are included to automatically vary the solvent mixed with reactants so a concentration of each reactant can be selectively varied. The reactants are introduced into a reaction module selectively coupled to residence time chambers or directly to an analytical unit. The analytical unit determines the yield and/or quality for each optimization experiment, enabling optimal parameters to be determined. Residence time chambers can be employed sequentially to enable total residence time to be varied. The controller performs as many experiments as required to enable each parameter to be varied according to a predefined testing program and can redefine a testing program based on the results from previous experiments. At least two reaction parameters can be varied according to periodic functions to further enhance analytical efficiency.

1 . A method for using a continuously running system to determine at least one optimal reaction parameter for a reaction to produce a desired product, comprising the steps of: 
 (a) identifying at least one reaction parameter to be varied;    (b) for each reaction parameter, identifying a plurality of values to be assigned to the reaction parameter;    (c) selecting a baseline value for each reaction parameter from the plurality of values identified for each reaction parameter;    (d) using the baseline values to generate the desired product in a continuously running reaction system;    (e) determining at least one of a quantity and a quality of the desired product generated using the baseline values;    (f) changing the baseline value for at least one reaction parameter, thereby affecting the desired product being produced by the continuously running system;    (g) determining at least one of a quantity and a quality of the desired product generated using the at least one baseline value that was changed; and    (h) comparing the at least one of the quantity and the quality of the desired product generated before changing the at least one of the baseline value with a corresponding at least one of the quantity and the quality of the desired product generated after the step of changing, to determine the at least one reaction parameter responsible for generating the highest of at least one of the quantity and the quality of the desired product.    
     
     
         2 . The method of  claim 1 , wherein the plurality of values for each reaction parameter correspond to upper and lower boundaries.  
     
     
         3 . The method of  claim 2 , wherein the step of changing the baseline value for at least one reaction parameter comprises the step of changing the baseline value for at least two reaction parameters according to a periodic function, wherein each of the at least two reaction parameters are changed based on different periodic functions.  
     
     
         4 . The method of  claim 3 , further comprising the step of determining if data corresponding to at least one of a quantity and a quality of the desired product generated in the continuously running system operated with the at least two reaction parameters that are changed based on different periodic functions indicates that any ranges for the plurality of values for each reaction parameter should be changed, and if so, changing the range as indicated by such data.  
     
     
         5 . The method of  claim 1 , wherein the step of changing the baseline value for at least one reaction parameter comprises the step of changing the baseline value for at least one reaction parameter according to a linear function.  
     
     
         6 . The method of  claim 1 , wherein the step of changing the baseline value for at least one reaction parameter comprises the step of changing the baseline value for at least one reaction parameter according to a predefined pattern.  
     
     
         7 . The method of  claim 1 , wherein the step of changing the baseline value for at least one reaction parameter comprises the step of changing the baseline value for at least one reaction parameter according to a user input.  
     
     
         8 . A method for using a continuously running reaction optimization system to determine at least one optimal reaction parameter for a reaction to produce a desired product, comprising the steps of: 
 (a) identifying at least one reaction parameter to be varied;    (b) identifying a baseline value for each reaction parameter;    (c) using the baseline values to generate the desired product in a continuously running reaction optimization system;    (d) determining at least one of a quantity and a quality of the desired product generated using the baseline values;    (e) changing the baseline value for at least one reaction parameter, thereby affecting the desired product being produced by the continuously running system;    (f) determining at least one of a quantity and a quality of the desired product generated using the at least one baseline value that was changed; and    (g) comparing the at least one of the quantity and the quality of the desired product generated before changing the at least one of the baseline value with a corresponding at least one of the quantity and the quality of the desired product generated after the step of changing, to determine the at least one reaction parameter responsible for generating the highest of at least one of the quantity and the quality of the desired product.    
     
     
         9 . The method of  claim 8 , wherein the step of changing the baseline value for at least one reaction parameter comprises the step of changing the baseline value for at least two reaction parameters according to a periodic function, wherein each of the at least two reaction parameters are changed based on different periodic functions.  
     
     
         10 . The method of  claim 8 , wherein the step of changing the baseline value for at least one reaction parameter comprises the step of changing the baseline value for at least one reaction parameter according to a linear function.  
     
     
         11 . The method of  claim 10 , further comprising the step of determining if data corresponding to at least one of a quantity and a quality of the desired product generated in the continuously running system operated with at least one reaction parameter being changed according to a linear function indicates any values corresponding to a linear discontinuity, and if so: 
 (a) for each value corresponding to a linear discontinuity, defining that value as a baseline value; and    (b) repeating steps (c)-(g).    
     
     
         12 . The method of  claim 8 , wherein the step of changing the baseline value for at least one reaction parameter comprises the step of changing the baseline value for at least one reaction parameter according to a user input.  
     
     
         13 . The method of  claim 8 , wherein the step of changing the baseline value for at least one reaction parameter comprises the step of changing the baseline value for at least one reaction parameter according to a predefined pattern.  
     
     
         14 . A method for using a continuously running reaction optimization system to generate data that can be used to identify at least one optimal reaction parameter for a reaction to produce a desired product, comprising the steps of: 
 (a) identifying at least one reaction parameter to be varied;    (b) identifying a baseline value for each reaction parameter;    (c) using the baseline values to generate the desired product in a continuously running reaction optimization system;    (d) determining at least one of a quantity and a quality of the desired product generated using the baseline values;    (e) changing the baseline value for at least one reaction parameter, thereby affecting the desired product being produced by the continuously running system; and    (f) determining at least one of a quantity and a quality of the desired product generated using the at least one baseline value that was changed.    
     
     
         15 . The method of  claim 14 , further comprising the step of comparing the at least one of the quantity and the quality of the desired product generated before changing the at least one of the baseline value with a corresponding at least one of the quantity and the quality of the desired product generated after the step of changing, to determine the at least one reaction parameter responsible for generating the highest of at least one of the quantity and the quality of the desired product.  
     
     
         16 . The method of  claim 15 , wherein the step of changing the baseline value for at least one reaction parameter comprises at least one of the steps of: 
 (a) changing the baseline value for at least one reaction parameter according to a predefined pattern;    (b) changing the baseline value for at least one reaction parameter according to a periodic function;    (c) changing the baseline value for at least one reaction parameter according to a linear function; and    (d) changing the baseline value for at least one reaction parameter according to a user input.    
     
     
         17 . A method for using a continuously running reaction optimization system to generate data that can be used to identify at least one optimal reaction parameter for a reaction to produce a desired product, comprising the steps of: 
 (a) identifying at least one reaction parameter to be varied;    (b) identifying a baseline value for each reaction parameter;    (c) using the baseline values to generate the desired product in a continuously running reaction optimization system, such that data corresponding to at least one of a quantity and a quality of the desired product generated using the baseline values is collected; and    (d) changing the baseline value for at least one reaction parameter over time, thereby affecting the desired product being produced by the continuously running system, such that data corresponding to at least one of a quantity and a quality of the desired product generated using the at least one baseline value that was changed is collected over time.    
     
     
         18 . The method of  claim 17 , wherein the step of changing the baseline value for at least one reaction parameter comprises the step of changing the baseline value for at least one reaction parameter according to a predefined pattern.  
     
     
         19 . The method of  claim 17 , wherein the step of changing the baseline value for at least one reaction parameter comprises the step of changing the baseline value for at least one reaction parameter according to a periodic function.  
     
     
         20 . The method of  claim 17 , wherein the step of changing the baseline value for at least one reaction parameter comprises the step of changing the baseline value for at least one reaction parameter according to a linear function.  
     
     
         21 . The method of  claim 17 , wherein the step of changing the baseline value for at least one reaction parameter comprises the step of changing the baseline value for at least one reaction parameter according to a user input.