Carbon capture and storage (CCS) is broadly recognised as having the potential to play a
key role in meeting climate change targets, delivering low carbon heat and power …

Platform molecules have recently been in the focus of numerous investigations as
intermediates for transformation of lignocellulosic biomass into fuels and chemicals. Herein …

A highly accurate equation of state (EOS) for chain molecules formed from spherical
segments interacting through Mie potentials (ie, a generalized Lennard-Jones form with …

A generalization of the recent version of the statistical associating fluid theory for variable
range Mie potentials [Lafitte et al, J. Chem. Phys. 139, 154504 (2013)] is formulated within …

This article provides an introduction to and review of the field of computer-aided molecular
design (CAMD). It is intended to be approachable for the absolute beginner as well as useful …

Thermodynamics is the science of the interactions between energy and matter. It was
formalized in the late 19th century and remains an essential piece in solving many …

Intermolecular potentials are considered which were suggested between 1903 and 1971.
These comprise the Mie potentials, the Lennard-Jones potentials, the Kihara potential, the …

An application of the “top-down” concept for the development of accurate coarse-grained
intermolecular potentials of complex fluids is presented. With the more common “bottom-up” …

This review presents recent advances and applications of statistical associating fluid theory
(SAFT), which has been extended in the past few years, conceptually and practically, to …

The REACH regulation (recent EU regulation for “Registration, Evaluation, Authorization,
and Restriction of Chemicals”) entered its product-recording phase after December 2008. 1 …