초록 ▼

Computer programs and computer-implemented methods for monitoring the progress and properties of parallel chemical reactions. The invention repeatedly receives a measured value or values associated with the contents of each of a plurality of reactor vessels and displays the measured over the course

Computer programs and computer-implemented methods for monitoring the progress and properties of parallel chemical reactions. The invention repeatedly receives a measured value or values associated with the contents of each of a plurality of reactor vessels and displays the measured over the course of a combinatorial chemical reaction. Reaction parameters associated with individual reactor vessels are changed in response to the value measured during the reaction. Reaction parameters include temperature, pressure, stirring speed. The reaction occurring in one or more reactor vessels is quenched in response to values measured during the reaction. The measured values are used to calculate experimental results including temperature change, pressure change, percent conversion of starting material, and viscosity. The measured values and experimental results are displayed. In another aspect, the invention features a method for controlling a combinatorial chemical reactor. The method includes receiving set points for properties associated with the reaction environment in multiple reactor vessels, measuring experimental values associated with each reactor vessel, displaying the experimental values, and changing the vessels' reaction environment in response to input set points and changing experimental values. In another aspect, the invention features a reactor control system for monitoring and controlling a parallel chemical reaction. The system includes modules for providing control signals to a parallel chemical reactor, receiving measured values from the parallel chemical reactor and calculating experimental results from the measured values, and for receiving reaction parameters from the user and displaying the set of measured values and the calculated values.

대표청구항 ▼

1. A method of controlling a combinatorial chemical reactor, the reactor comprising a plurality of reactor vessels, each vessel having a reaction environment, the method comprising the steps of:receiving a set point for a property associated with each vessel's reaction environment; measuring the pro

1. A method of controlling a combinatorial chemical reactor, the reactor comprising a plurality of reactor vessels, each vessel having a reaction environment, the method comprising the steps of:receiving a set point for a property associated with each vessel's reaction environment; measuring the property for each vessel's reaction environment to obtain measured values; simultaneously displaying the measured values associated with the contents of each of the plurality of reactor vessels in a tabular array corresponding to the plurality of reactor vessels; and changing the reaction environment in one or more of the plurality of reactor vessels as a function of the set point and the measured values; terminating a reaction occurring in one or more of the vessels as a function of the set point and the measured values; and displaying a histogram of the measured values simultaneously with the displaying of the tabular array.