By employing the SAFT-VR Mie equation of state, molecular-based models are developed
from which the thermodynamic properties of pure (ie, single-component) organic fluids and …

In this review, we sketch the materials modeling process in industry. We show that predictive
and fast modeling is a prerequisite for successful participation in research and development …

The solubility of pharmaceutical cocrystals in aqueous solution is influenced by pH-
dependent dissociation and salt formation which complicates the design of cocrystal …

In this work, the solubilities of pharmaceutical cocrystals in solvent/anti-solvent systems were
predicted using PC-SAFT in order to increase the efficiency of cocrystal formation processes …

Polymorphic transitions and hydrate formation often occur in systems of cocrystal-forming
components. To increase the efficiency of cocrystal formation and purification processes, the …

Wax precipitation is a serious challenge in the oil industry due to decrease in oil production
and transmission efficiency. Wax precipitation modeling plays an important role to forecast …

In this work, the dissolution profiles of different crystalline active pharmaceutical ingredients
(APIs), which show a diverse water solubility (paracetamol> hydrochlorothiazide> …

Cocrystal formation processes from aqueous solutions are often affected by pH-dependent
dissociation, polymorphic transitions, and formation of hydrates and salts. To enhance the …

In this work, perturbed-chain statistical associating fluid theory (PC-SAFT) and its
combination with the NET-GP (non-equilibrium thermodynamics of glassy polymer) model …

Obtaining pure compound parameters and discerning among sets of parameter values that
seem to perform equally well are major challenges when fitting equations of state (EoS) of …