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New reference equation of state for associating liquids
An equation of state for associating liquids is presented as a sum of three Helmholtz energy terms: Lennard-Lones (LJ) segment (temperature-dependent hard sphere + dispersion), chain (increment dueExpand
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Statistical associating fluid theory for chain molecules with attractive potentials of variable range
A version of the statistical associating fluid theory (SAFT) is developed for chain molecules of hard-core segments with attractive potentials of variable range (SAFT-VR). The different contributionsExpand
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SAFT: Equation-of-State Solution Model for Associating Fluids
An equation-of-state model has been developed for predicting phase equilibria, based on the Statistical Associating Fluid Theory (SAFT). The agreement with molecular simulation data has been found toExpand
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Carbon capture and storage (CCS): the way forward
Carbon capture and storage (CCS) is broadly recognised as having the potential to play a key role in meeting climate change targets, delivering low carbon heat and power, decarbonising industry and,Expand
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An overview of CO2 capture technologies
In this paper, three of the leading options for large scale CO2 capture are reviewed from a technical perspective. We consider solvent-based chemisorption techniques, carbonate looping technology,Expand
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Accurate statistical associating fluid theory for chain molecules formed from Mie segments.
A highly accurate equation of state (EOS) for chain molecules formed from spherical segments interacting through Mie potentials (i.e., a generalized Lennard-Jones form with variable repulsive andExpand
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Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments.
A generalization of the recent version of the statistical associating fluid theory for variable range Mie potentials [Lafitte et al., J. Chem. Phys. 139, 154504 (2013)] is formulated within theExpand
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Phase equilibria and critical behavior of square‐well fluids of variable width by Gibbs ensemble Monte Carlo simulation
The vapor–liquid phase equilibria of square‐well systems with hard‐sphere diameters σ, well‐depths e, and ranges λ=1.25, 1.375, 1.5, 1.75, and 2 are determined by Monte Carlo simulation. The two bulkExpand
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A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-gamma).
A predictive group-contribution statistical associating fluid theory (SAFT-gamma) is developed by extending the molecular-based SAFT-VR equation of state [A. Gil-Villegas et al. J. Chem. Phys. 106,Expand
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Developing intermolecular‐potential models for use with the SAFT‐VR Mie equation of state
A major advance in the statistical associating fluid theory (SAFT) for potentials of variable range (SAFT-VR) has recently been made with the incorporation of the Mie (generalized Lennard–Jones [LJ])Expand
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