Blar i NTNU Open på forfatter "Moultos, Othonas A."
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Gibbs ensemble Monte Carlo simulation of fluids in confinement: Relation between the differential and integral pressures
Erdős, Máté; Galteland, Olav; Bedeaux, Dick; Kjelstrup, Signe; Moultos, Othonas A.; Vlugt, Thijs J.H. (Peer reviewed; Journal article, 2020)The accurate description of the behavior of fluids in nanoporous materials is of great importance for numerous industrial applications. Recently, a new approach was reported to calculate the pressure of nanoconfined fluids. ... -
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 ... -
Solubility of Carbon Dioxide, Hydrogen Sulfide, Methane, and Nitrogen in Monoethylene Glycol; Experiments and Molecular Simulation
Dawass, Noura; Wanderley, Ricardo Ramos; Ramdin, Mahinder; Moultos, Othonas A.; Knuutila, Hanna K; Vlugt, Thijs J.H. (Peer reviewed; Journal article, 2020)Knowledge on the solubility of gases, especially carbon dioxide (CO2), in monoethylene glycol (MEG) is relevant for a number of industrial applications such as separation processes and gas hydrate prevention. In this study, ... -
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 ...