The unique physicochemical properties, flexible structural tunability, and giant chemical
space of ionic liquids (ILs) provide them a great opportunity to match different target …

The optimal design of compounds through manipulating properties at the molecular level is
often the key to considerable scientific advances and improved process systems …

Highlights•A brief overview on the state of the art in group-contribution based property
estimation methods, which are simple methods, easy to use, have some predictive …

Physiochemical properties of pure components serve as the basis for the design and
simulation of chemical products and processes. Models based on the molecular structural …

Quantitative structure–property relationships (QSPRs) are important tools to facilitate and
accelerate the discovery of compounds with desired properties. While many QSPRs have …

Organic Rankine cycle (ORC) systems are a class of distributed power-generation systems
that are suitable for the efficient conversion of low-to-medium temperature thermal energy to …

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 …

The sustainable future of the world challenges engineers to develop chemical process
designs that are not only technically and economically feasible but also environmental …

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 …

The ability to evaluate pure compound properties of various molecular species is an
important prerequisite for process simulation in general and in particular for computer-aided …