Publications
254 results found
Jover J, Haslam AJ, Galindo A, et al., 2012, Pseudo hard-sphere potential for use in continuous molecular-dynamics simulation of spherical and chain molecules, JOURNAL OF CHEMICAL PHYSICS, Vol: 137, ISSN: 0021-9606
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- Citations: 80
Morales-Anda L, Wensink HH, Galindo A, et al., 2012, Anomalous columnar order of charged colloidal platelets, JOURNAL OF CHEMICAL PHYSICS, Vol: 136, ISSN: 0021-9606
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- Citations: 15
Pereira FE, Jackson G, Galindo A, et al., 2012, The HELD algorithm for multicomponent, multiphase equilibrium calculations with generic equations of state, COMPUTERS & CHEMICAL ENGINEERING, Vol: 36, Pages: 99-118, ISSN: 0098-1354
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- Citations: 23
Brand CV, Rodriguez J, Galindo A, et al., 2012, Validation of an absorber model of carbon dioxide capture in an aqueous amine solvent developed based on the SAFT-VR framework, 11TH INTERNATIONAL SYMPOSIUM ON PROCESS SYSTEMS ENGINEERING, PTS A AND B, Vol: 31, Pages: 930-934, ISSN: 1570-7946
Lafitte T, Avendano C, Papaioannou V, et al., 2012, SAFT-gamma force field for the simulation of molecular fluids: 3. Coarse-grained models of benzene and hetero-group models of n-decylbenzene, MOLECULAR PHYSICS, Vol: 110, Pages: 1189-1203, ISSN: 0026-8976
Solanki R, Galindo A, Markides CN, 2012, Dynamic modelling of a two-phase thermofluidic oscillator for efficient low grade heat utilization: Effect of fluid inertia, Publisher: ELSEVIER SCI LTD, Pages: 156-163, ISSN: 0306-2619
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- Citations: 41
Dufal S, Galindo A, Jackson G, et al., 2012, Modelling the effect of methanol, glycol inhibitors and electrolytes on the equilibrium stability of hydrates with the SAFT-VR approach, MOLECULAR PHYSICS, Vol: 110, Pages: 1223-1240, ISSN: 0026-8976
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- Citations: 23
Rodriguez J, Mac Dowell N, Llovell F, et al., 2012, Modelling the fluid phase behaviour of aqueous mixtures of multifunctional alkanolamines and carbon dioxide using transferable parameters with the SAFT-VR approach, MOLECULAR PHYSICS, Vol: 110, Pages: 1325-1348, ISSN: 0026-8976
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- Citations: 77
Forte E, Galindo A, Trusler JPM, 2011, Experimental and Molecular Modeling Study of the Three-Phase Behavior of (<i>n</i>-Decane plus Carbon Dioxide plus Water) at Reservoir Conditions, JOURNAL OF PHYSICAL CHEMISTRY B, Vol: 115, Pages: 14591-14609, ISSN: 1520-6106
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- Citations: 30
Avendano C, Lafitte T, Galindo A, et al., 2011, SAFT-γ Force Field for the Simulation of Molecular Fluids. 1. A Single-Site Coarse Grained Model of Carbon Dioxide, JOURNAL OF PHYSICAL CHEMISTRY B, Vol: 115, Pages: 11154-11169, ISSN: 1520-6106
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- Citations: 178
Artola P-A, Pereira FE, Adjiman CS, et al., 2011, Understanding the fluid phase behaviour of crude oil: Asphaltene precipitation, FLUID PHASE EQUILIBRIA, Vol: 306, Pages: 129-136, ISSN: 0378-3812
Cuevas J, Llovell F, Galindo A, et al., 2011, Solid-liquid equilibrium using the SAFT-VR equation of state: Solubility of naphthalene and acetic acid in binary mixtures and calculation of phase diagrams, Symposium on 20 Years of the SAFT Equation of State Recent Advances and Challenges, Publisher: ELSEVIER, Pages: 137-147, ISSN: 0378-3812
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- Citations: 7
Papaioannou V, Adjiman CS, Jackson G, et al., 2011, Simultaneous prediction of vapour-liquid and liquid-liquid equilibria (VLE and LLE) of aqueous mixtures with the SAFT-γ group contribution approach, FLUID PHASE EQUILIBRIA, Vol: 306, Pages: 82-96, ISSN: 0378-3812
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- Citations: 55
Mac Dowell N, Pereira FE, Llovell F, et al., 2011, Transferable SAFT-VR Models for the Calculation of the Fluid Phase Equilibria in Reactive Mixtures of Carbon Dioxide, Water, and <i>n</i>-Alkylamines in the Context of Carbon Capture, JOURNAL OF PHYSICAL CHEMISTRY B, Vol: 115, Pages: 8155-8168, ISSN: 1520-6106
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- Citations: 68
StrĂ¼bing H, Konstantinidis S, Karamertzanis PG, et al., 2011, Computer-Aided Methodologies for the Design of Reaction Solvents, Vol: 6, Pages: 267-305
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- Citations: 5
Pistikopoulos EN, Georgiadis MC, Adjiman CS, et al., 2011, Process Systems Engineering, Process Systems Engineering, Vol: 6
Inspired by the leading authority in the field, the Centre for Process Systems Engineering at Imperial College London, this book includes theoretical developments, algorithms, methodologies and tools in process systems engineering and applications from the chemical, energy, molecular, biomedical and other areas. It spans a whole range of length scales seen in manufacturing industries, from molecular and nanoscale phenomena to enterprise-wide optimization and control. As such, this will appeal to a broad readership, since the topic applies not only to all technical processes but also due to the interdisciplinary expertise required to solve the challenge. The ultimate reference for years to come. © 2010 Wiley-VCH Verlag GmbH & Co. KGaA.
Pereira FE, Keskes E, Galindo A, et al., 2011, Integrated Design of CO<inf>2</inf> Capture Processes from Natural Gas, Process Systems Engineering, Pages: 231-248, ISBN: 9783527316946
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- Citations: 10
Papaioannou V, Adjiman CS, Jackson G, et al., 2011, Group Contribution Methodologies for the Prediction of Thermodynamic Properties and Phase Behavior in Mixtures, Process Systems Engineering, Pages: 135-172, ISBN: 9783527316953
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- Citations: 14
Forte E, Llovell F, Vega LF, et al., 2011, Application of a renormalization-group treatment to the statistical associating fluid theory for potentials of variable range (SAFT-VR), JOURNAL OF CHEMICAL PHYSICS, Vol: 134, ISSN: 0021-9606
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- Citations: 41
Pereira FE, Keskes E, Galindo A, et al., 2011, Integrated solvent and process design using a SAFT-VR thermodynamic description: High-pressure separation of carbon dioxide and methane, COMPUTERS & CHEMICAL ENGINEERING, Vol: 35, Pages: 474-491, ISSN: 0098-1354
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- Citations: 70
Macchietto S, Hewitt GF, Coletti F, et al., 2011, Fouling in Crude Oil Preheat Trains: A Systematic Solution to an Old Problem, HEAT TRANSFER ENGINEERING, Vol: 32, Pages: 197-215, ISSN: 0145-7632
Papaioannou V, Adjiman CS, Jackson G, et al., 2011, Modeling the solid-liquid equilibrium of organic compounds with the SAFT-g, Pages: 231-232
Pereira F, Galindo A, Jackson G, et al., 2011, On the impact of using a pressure solver on the solution of P,T phase equilibrium with equations of state, Pages: 335-336
Struebing H, Ganase Z, Karamertzanis PG, et al., 2011, Solvent design for optimal kinetics: From quantum mechanical predictions to experimental validation, Pages: 39-40
Siougkrou E, Galindo A, Adjiman CS, 2011, Integrated Design of a Reactor and a Gas-Expanded Solvent, 21st European Symposium on Computer Aided Process Engineering (ESCAPE-21), Publisher: ELSEVIER SCIENCE BV, Pages: 316-320, ISSN: 1570-7946
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- Citations: 1
Papaioannou V, Lafitte T, Adjiman CS, et al., 2011, Simultaneous prediction of phase behaviour and second derivative properties with a group contribution approach (SAFT-γ Mie), 21ST EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING, Vol: 29, Pages: 1593-1597, ISSN: 1570-7946
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- Citations: 1
Pereira FE, Jackson G, Galindo A, et al., 2010, A duality-based optimisation approach for the reliable solution of (<i>P</i>, <i>T</i>) phase equilibrium in volume-composition space, FLUID PHASE EQUILIBRIA, Vol: 299, Pages: 1-23, ISSN: 0378-3812
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- Citations: 26
Dowell NM, Llovell F, Blas FJ, et al., 2010, Modelling the phase behaviour of the CO2+H2O+amine mixtures using transferable parameters with SAFT-VR - Towards solvent design, 10AIChE - 2010 AIChE Annual Meeting, Conference Proceedings
The reduction in CO2 emissions from anthropogenic sources has become a topic of widespread interest in recent years. As the power generation sector is by far the largest stationary-point-source of CO2, being responsible for approximately 35% of total global CO2 emissions this issue has special relevance for the energy sector. The current method of choice for large-scale CO2 capture is amine-based chemisorption; typically in packed columns, with the solvent of choice being a primary alkanolamine: monoethanolamine (MEA). However, MEA-based processes suffer from a number of significant disadvantages associated with the regeneration of the MEA solvent. Recently, blends of 2-amino-2-methyl-1-propanol (AMP) and ammonia (NH2) have been shown to be particularly promising novel solvent blends for CO2 capture applications owing to a greater capacity to absorb CO2, lower energy of regeneration and a significantly improved resistance to degradation problems when compared to MEA solvents. However, in order to include this mixture in solvent and process design activities, it is necessary to develop accurate and reliable physical models with which to describe their thermophysical properties and fluid phase behaviour. To this end, we use the statistical associating fluid theory (SAFT). This is a molecular approach, specifically suited to hydrogen-bonding, chain-like fluids. In this contribution we use the SAFT approach for potentials of variable range (SAFT-VR) to calculate the fluid phase behaviour of amine + H2O + CO2 mixtures. The molecules are modelled as homonuclear chains of attractive segments with a variable dispersion range, and a number of short-ranged off-centre attractive square-well sites are used to mediate the strong anisotropic interactions in the fluids. Following previous work on MEA, we propose an asymmetric model of AMP. By asymmetric we mean that we explicitly discriminate between the primary amine functional group and the hydroxyl functional group on the AMP m
Georgiadis A, Llovell F, Bismarck A, et al., 2010, Interfacial tension measurements and modelling of (carbon dioxide plus <i>n</i>-alkane) and (carbon dioxide plus water) binary mixtures at elevated pressures and temperatures, JOURNAL OF SUPERCRITICAL FLUIDS, Vol: 55, Pages: 743-754, ISSN: 0896-8446
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- Citations: 110
Mac Dowell N, Florin N, Buchard A, et al., 2010, An Overview of CO2 capture technologies, Energy and Environmental Science, Vol: 3, Pages: 1645-1669
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