Thermodynamic data are key in the understanding and design of chemical processes. Next
to the experimental evaluation of such data, computational methods are valuable and …

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 …

Thermodynamic cycles consist of reverse cycles, such as refrigeration and heat pump, and
positive cycles, such as organic rankine cycle. These cycles have been widely applied for …

In this work, pure solvent solubilities of drugs, such as paracetamol, allopurinol, furosemide
and budesonide, measured in the temperature range between 298.2–315.2 K are …

A new framework to automate, augment, and accelerate steps in computer‐aided molecular
design is presented. The problem is tackled in three stages:(1) composition design,(2) …

Aqueous solubilities of natural phenolic compounds from different families (hydroxyphenyl,
polyphenol, hydroxybenzoic, and phenylpropenoic) were experimentally obtained …

In the present work a group contribution method is proposed for the estimation of the heat
capacity of organic liquids as a function of temperature for fatty compounds found in edible …

Phase-change solvents promise reduced energetic and environmental footprints for
separation systems, including absorption-based CO 2 abatement technologies. The search …

The regeneration heat duty (Q reg, kJ/kg CO 2) is a critical parameter in the post-combustion
CO 2 capture process using a chemical solvent. In this study, the Q reg of CO 2 desorption …

Biomass conversion technologies yield unique products for which laboratory
characterization of structure and properties is an ongoing challenge. In this study, Hansen …