• Kirkwood–Buff Integrals Using Molecular Simulation: Estimation of Surface Effects 

      Dawass, Noura; Krüger, Peter; Schnell, Sondre Kvalvåg; Moultos, Othonas A.; Economou, Ioannis; Vlugt, Thijs J.H.; Simon, Jean-Marc (Peer reviewed; Journal article, 2020)
      Kirkwood–Buff (KB) integrals provide a connection between microscopic properties and thermodynamic properties of multicomponent fluids. The estimation of KB integrals using molecular simulations of finite systems requires ...
    • Structure and Optical Properties of Titania-PDMS Hybrid Nanocomposites Prepared by In Situ Non-Aqueous Synthesis 

      Dalod, Antoine Robert Marie; Grendal, Ola Gjønnes; Blichfeld, Anders Bank; Furtula, Vedran; Pérez, Javier; Henriksen, Lars; Grande, Tor; Einarsrud, Mari-Ann (Journal article; Peer reviewed, 2017)
      Organic-inorganic hybrid materials are attractive due to the combination of properties from the two distinct types of materials. In this work, transparent titania-polydimethylsiloxane hybrid materials with up to 15.5 vol. ...
    • Two-Phase Equilibrium Conditions in Nanopores 

      Rauter, Michael Tobias; Galteland, Olav; Erdos, Mate; Moultos, Othonas A.; Vlugt, Thijs J.H.; Schnell, Sondre Kvalvåg; Bedeaux, Dick; Kjelstrup, Signe (Peer reviewed; Journal article, 2020)
      It is known that thermodynamic properties of a system change upon confinement. To know how, is important for modelling of porous media. We propose to use Hill’s systematic thermodynamic analysis of confined systems to ...