Skip to content

Author

T. Vlugt

We have 2 of 87 papers

We haven’t gathered this author’s papers yet. Follow them and we’ll fetch their work.

Not the right person? Other researchers publish under this name.

Open access Aug 2026

Machine Learning-Based Prediction of Phase Equilibria and Interfacial Properties of Multicomponent CO2 Mixtures with Impurities: Application to CO2 Transportation

Impurities in captured CO2 broaden the two-phase envelope, decrease the interfacial tension (IFT), and affect safe dense-phase transport. These properties are difficult to measure and expensive to compute using molecular simulations. We present the first systematic machine learning (ML) surrogate framework for phase eq...

Darshan Raju, R. Skartlien, M. Ramdin et al. · 0 citations
Open access Jul 2026

Inclusion Complexation of Native and Functionalized α‑, β‑, and γ‑Cyclodextrins with PFAS: An Experimental and Molecular Simulation Study

β-Cyclodextrin (β-CD)-based polymers have shown high adsorption capacities for removing per- and polyfluoroalkyl substances (PFAS) from drinking water. PFAS capture by these materials involves many physical and chemical processes, such as adsorption and inclusion complexation. Quantifying the underlying host–guest bind...

Bo-Wen Sha, Akhilesh Soodan, K. Lompe et al. · 0 citations

We use cookies to run the site and, with your consent, for analytics and to show ads. See our Cookie Policy.