RESUMO
In this work, we discuss the use of surrogate functions and a new optimization framework to create an efficient and robust computational framework for process design. Our model process is the capture chromatography unit operation for monoclonal antibody purification, an important step in biopharmaceutical manufacturing. Simulating this unit operation involves solving a system of non-linear partial differential equations, which can have high computational cost. We implemented surrogate functions to reduce the computational time and make the framework more attractive for industrial applications. This strategy yielded accurate results with a 93% decrease in processing time. Additionally, we developed a new optimization framework to reduce the number of simulations needed to generate a solution to the optimization problem. We demonstrate the performance of our new framework, which uses MATLAB built-in tools, by comparing its performance against individual optimization algorithms for problems with integer, continuous, and mixed-integer variables.
RESUMO
We developed a computational framework that integrates commercial software components to perform customizable technoeconomic feasibility analyses. The use of multiple software packages overcomes the shortcomings of each to provide a detailed simulation that can be used for sensitivity analyses and optimizations. In this paper, the framework was used to evaluate the performance of monoclonal antibody capture processes. To this end, the simulation framework incorporated dynamic models for the affinity chromatography step that were validated with experimental breakthrough curves. The results were integrated with an Intelligen SuperPro Designer process simulation for the evaluation of key performance indicators of the operations. As proof of concept, the framework was used to perform a sensitivity analysis and optimization for a case study in which we sought to compare membrane and resin chromatography for disposable and reusable batch capture platforms. Two membranes and one resin were selected for the capture media, which yielded six process alternatives to compare. The objective functions were set to be cost of goods, process time, and buffer utilization. The results of the optimization of these process alternatives were a set of operating conditions that display tradeoffs between competing objectives. From this application exercise, we conclude that the framework can handle multiple variables and objectives, and it is adaptable to platforms with different chromatography media and operating modes. Additionally, the framework is capable of providing ad hoc analyses for decision making in a specific production context.