This paper presents a novel computer-aided molecular/mixture design (CAMD)
methodology for the design of optimal solvents and solvent mixtures. The molecular/mixture …

Computer-aided molecular design allows generating novel fluids fulfilling a set of target
properties. An integrated design of fluid and process directly employs a process-based …

In this paper, the significant development, current challenges and future opportunities in the
field of chemical product design using computer-aided molecular design (CAMD) tools are …

Extractive distillation is one of the most attractive approaches for separating azeotropic
mixtures. Few contributions have been reported to design an extractive distillation for …

Chemical product design determines the structure and constitution of products that satisfies
all desired properties and functions. Molecular products are usually employed as the main …

One of the key decisions in designing solution crystallization processes is the selection of
solvents. In this paper, we present a computer-aided molecular design (CAMD) framework …

An integrated design of processes and solvents is a prerequisite for achieving truly
optimized solvent-based processes. However, solving the full integrated problem in a single …

Although the business of flavors and fragrances has become a multibillion dollar market, the
design/screening of fragrances still relies on the experience of specialists as well as …

A mixed-integer non-linear programming optimisation framework is formulated and
developed that combines a molecular-based, group-contribution equation of state, SAFT-γ …

Generally, molecular thermodynamic models for treating the phase equilibria of solutions
can be classified into two categories: activity coefficient relations and equations of state. The …