Simultaneous solution of process and molecular design problems using an algebraic approach

A perspective on process synthesis: Challenges and prospects

“…Similar arguments can be made for systems including membrane separations. Although there have been advances for combining product and process design especially considering solvent design for extraction, e.g., Bommareddy et al (2010), the contributions for other hybridseparation sequences have been limited. The problems with the additional degrees of freedom become very big quickly, and our ability to solve these problems is limited.…”

Computer-aided molecular design in the continuous-molecular targeting framework using group-contribution PC-SAFT

“…Thus, targeting approaches have been developed allowing for the identification of favorable fluid properties (Bommareddy et al, 2010;Eden et al, 2003Eden et al, , 2004. The targeting allows for efficient approximate solution of problem (1) by omitting the equations enforcing the feasibility of a fluid, the so-called constituting equations.…”

A hierarchical method to integrated solvent and process design of physical CO2 absorption using the SAFT‐γ Mie approach

“…A more recent decomposition strategy is exemplified by the work of Eden at al., Eljack et al, and Bommareddy et al who formulated an alternative optimization problem in which the aim is to find the optimal physical properties that minimize the process costs without considering the solvent chemical structure explicitly. Once the optimal values of the properties have been identified, the chemical structures (pure components and mixtures) that possess these properties must be found by solving a separate CAMD problem.…”

“…The CoMT approach has now also been applied to find better working fluids for organic Rankine cycles . The challenge in both two‐stage approaches is the second stage, as it is not guaranteed that the optimal molecule for the CAMD subproblem is optimal from the perspective of the overall problem.…”