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New reference equation of state for associating liquids

- Walter G Chapman, K. Gubbins, G. Jackson, M. Radosz
- Physics
- 1 August 1990

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 due… Expand

1,397 42- PDF

Statistical associating fluid theory for chain molecules with attractive potentials of variable range

- A. Gil-Villegas, A. Galindo, P. Whitehead, S. Mills, G. Jackson, A. Burgess
- Chemistry
- 8 March 1997

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 contributions… Expand

781 23

SAFT: Equation-of-State Solution Model for Associating Fluids

- Walter G Chapman, K. Gubbins, G. Jackson, M. Radosz
- Chemistry
- 1 December 1989

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 to… Expand

959 20- PDF

Carbon capture and storage (CCS): the way forward

- M. Bui, C. Adjiman, +28 authors N. M. Dowell
- 16 May 2018

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

702 19- PDF

An overview of CO2 capture technologies

- N. Macdowell, Nicholas H. Florin, +7 authors P. Fennell
- Engineering
- 28 October 2010

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

1,042 14

Accurate statistical associating fluid theory for chain molecules formed from Mie segments.

- Thomas Lafitte, A. Apostolakou, +4 authors G. Jackson
- Chemistry, Medicine
- The Journal of chemical physics
- 21 October 2013

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 and… Expand

222 10- PDF

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments.

- Vasileios Papaioannou, Thomas Lafitte, +4 authors A. Galindo
- Chemistry, Medicine
- The Journal of chemical physics
- 7 February 2014

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 the… Expand

153 8- PDF

Phase equilibria and critical behavior of square‐well fluids of variable width by Gibbs ensemble Monte Carlo simulation

- L. Vega, E. Miguel, L. F. Rull, G. Jackson, I. McLure
- Chemistry
- 1 February 1992

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 bulk… Expand

256 5

A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-gamma).

- Alexandros Lymperiadis, C. Adjiman, A. Galindo, G. Jackson
- Chemistry, Medicine
- The Journal of chemical physics
- 21 December 2007

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

189 5

Developing intermolecular‐potential models for use with the SAFT‐VR Mie equation of state

- Simon Dufal, Thomas Lafitte, A. Galindo, G. Jackson, A. J. Haslam
- Chemistry
- 1 September 2015

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

40 5

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