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1

Carbon capture and storage (CCS): the way forward

Bui, Mai, Adjiman, Claire S., Bardow, André, Anthony, Edward J., Boston, Andy, Brown, Solomon, Fennell, Paul S., Fuss, Sabine, Galindo, Amparo, Hackett, Leigh A., Hallett, Jason P., Herzog, Howard J.,

Journal:

Energy & Environmental Science

Year:

2018

Language:

english

File:

PDF, 11.35 MB

english, 2018

2

An overview of CO2 capture technologies

MacDowell, Niall, Florin, Nick, Buchard, Antoine, Hallett, Jason, Galindo, Amparo, Jackson, George, Adjiman, Claire S., Williams, Charlotte K., Shah, Nilay, Fennell, Paul

Journal:

Energy & Environmental Science

Year:

2010

Language:

english

File:

PDF, 462 KB

english, 2010

3

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

Papaioannou, Vasileios, Lafitte, Thomas, Avendaño, Carlos, Adjiman, Claire S., Jackson, George, Müller, Erich A., Galindo, Amparo

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.23 MB

english, 2014

4

Global optimization of mixed-integer nonlinear problems

C. S. Adjiman, I. P. Androulakis, C. A. Floudas

Journal:

Year:

2000

Language:

english

File:

PDF, 406 KB

english, 2000

5

The Effects of Operating Conditions on the Performance of a Solid Oxide Steam Electrolyser: A Model-Based Study

Q. Cai, E. Luna-Ortiz, C. S. Adjiman, N. P. Brandon

Journal:

Year:

2010

Language:

english

File:

PDF, 321 KB

english, 2010

6

A generalisation of the SAFT- group contribution method for groups comprising multiple spherical segments

Alexandros Lymperiadis, Claire S. Adjiman, George Jackson, Amparo Galindo

Journal:

Fluid Phase Equilibria

Year:

2008

Language:

english

File:

PDF, 915 KB

english, 2008

7

An algorithm for the estimation of parameters in models with stochastic differential equations

B. Pereira Ló, A.J. Haslam, C.S. Adjiman

Journal:

Chemical Engineering Science

Year:

2008

Language:

english

File:

PDF, 237 KB

english, 2008

8

Pure component properties from group contribution: Hydrogen-bond basicity, hydrogen-bond acidity, Hildebrand solubility parameter, macroscopic surface tension, dipole moment, refractive index and dielectric constant

T.J. Sheldon, C.S. Adjiman, J.L. Cordiner

Journal:

Fluid Phase Equilibria

Year:

2005

Language:

english

File:

PDF, 365 KB

english, 2005

9

Anode-supported intermediate temperature direct internal reforming solid oxide fuel cell. I: model-based steady-state performance

P. Aguiar, C.S. Adjiman, N.P. Brandon

Journal:

Journal of Power Sources

Year:

2004

Language:

english

File:

PDF, 470 KB

english, 2004

10

Modelling the dynamic response of a solid oxide steam electrolyser to transient inputs during renewable hydrogen production

Qiong Cai, Nigel P. Brandon, Claire S. Adjiman

Journal:

Frontiers in Energy

Year:

2010

Language:

english

File:

PDF, 317 KB

english, 2010

11

Modelling the fluid phase behaviour of aqueous mixtures of multifunctional alkanolamines and carbon dioxide using transferable parameters with the SAFT-VR approach

Rodriguez, J., Mac Dowell, N., Llovell, F., Adjiman, C.S., Jackson, G., Galindo, A.

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 745 KB

english, 2012

12

SAFT-γ Force Field for the Simulation of Molecular Fluids: 2. Coarse-Grained Models of Greenhouse Gases, Refrigerants, and Long Alkanes

Avendaño, Carlos, Lafitte, Thomas, Adjiman, Claire S., Galindo, Amparo, Müller, Erich A., Jackson, George

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 2.59 MB

english, 2013

13

SAFT-γ Force Field for the Simulation of Molecular Fluids. 1. A Single-Site Coarse Grained Model of Carbon Dioxide

Avendaño, Carlos, Lafitte, Thomas, Galindo, Amparo, Adjiman, Claire S., Jackson, George, Müller, Erich A.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 1.24 MB

english, 2011

14

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

Lafitte, Thomas, Apostolakou, Anastasia, Avendaño, Carlos, Galindo, Amparo, Adjiman, Claire S., Müller, Erich A., Jackson, George

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.68 MB

english, 2013

15

Modelling of the thermodynamic and solvation properties of electrolyte solutions with the statistical associating fluid theory for potentials of variable range

Schreckenberg, Jens M.A., Dufal, Simon, Haslam, Andrew J., Adjiman, Claire S., Jackson, George, Galindo, Amparo

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 2.02 MB

english, 2014

16

Prediction of Thermodynamic Properties and Phase Behavior of Fluids and Mixtures with the SAFT-γ Mie Group-Contribution Equation of State

Dufal, Simon, Papaioannou, Vasileios, Sadeqzadeh, Majid, Pogiatzis, Thomas, Chremos, Alexandros, Adjiman, Claire S., Jackson, George, Galindo, Amparo

Journal:

Journal of Chemical & Engineering Data

Year:

2014

Language:

english

File:

PDF, 656 KB

english, 2014

17

Prediction of the crystal structures of axitinib, a polymorphic pharmaceutical molecule

Vasileiadis, Manolis, Pantelides, Constantinos C., Adjiman, Claire S.

Journal:

Chemical Engineering Science

Year:

2015

Language:

english

File:

PDF, 4.23 MB

english, 2015

18

SAFT- γ force field for the simulation of molecular fluids: 3. Coarse-grained models of benzene and hetero-group models of n -decylbenzene

Lafitte, Thomas, Avendaño, Carlos, Papaioannou, Vasileios, Galindo, Amparo, Adjiman, Claire S., Jackson, George, Müller, Erich A.

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 708 KB

english, 2012

19

[Molecular Modeling and Simulation] Foundations of Molecular Modeling and Simulation || Quantum Virial Coefficients via Path Integral Monte Carlo with Semi-classical Beads

Snurr, Randall Q, Adjiman, Claire S., Kofke, David A.

Year:

2016

Language:

english

File:

PDF, 361 KB

english, 2016

20

Design of solvents for optimal reaction rate constants

Milica Folić, Claire S. Adjiman, Efstratios N. Pistikopoulos

Journal:

Year:

2007

Language:

english

File:

PDF, 295 KB

english, 2007

21

Quantitative framework for reliable safety analysis

Haitao Huang, Claire S. Adjiman, Nilay Shah

Journal:

Year:

2002

Language:

english

File:

PDF, 474 KB

english, 2002

22

Optimal solvent design for batch separation based on economic performance

Apostolos Giovanoglou, Julie Barlatier, Claire S. Adjiman, Efstratios N. Pistikopoulos, Joan L. Cordiner

Journal:

Year:

2003

Language:

english

File:

PDF, 266 KB

english, 2003

23

ChemInform Abstract: Computer-Aided Methodologies for the Design of Reaction Solvents

H. Strubing, S. Konstantinidis, P. G. Karamertzanis, E. N. Pistikopoulos, A. Galindo, C. S. Adjiman

Journal:

Year:

2011

File:

PDF, 18 KB

2011

24

A global optimization method, αBB, for process design

C.S. Adjiman, I.P. Androulakis, C.D. Maranas, C.A. Floudas

Journal:

Computers & Chemical Engineering

Year:

1996

Language:

english

File:

PDF, 386 KB

english, 1996

25

Fluid phase stability and equilibrium calculations in binary mixtures: Part II: Application to single-point calculations and the construction of phase diagrams

A. Giovanoglou, C.S. Adjiman, G. Jackson, A. Galindo

Journal:

Fluid Phase Equilibria

Year:

2009

Language:

english

File:

PDF, 962 KB

english, 2009

26

Understanding the fluid phase behaviour of crude oil: Asphaltene precipitation

Pierre-Arnaud Artola, Frances E. Pereira, Claire S. Adjiman, Amparo Galindo, Erich A. Müller, George Jackson, Andrew J. Haslam

Journal:

Fluid Phase Equilibria

Year:

2011

Language:

english

File:

PDF, 618 KB

english, 2011

27

Integrated solvent and process design using a SAFT-VR thermodynamic description: High-pressure separation of carbon dioxide and methane

F.E. Pereira, E. Keskes, A. Galindo, G. Jackson, C.S. Adjiman

Journal:

Computers & Chemical Engineering

Year:

2011

Language:

english

File:

PDF, 813 KB

english, 2011

28

Modelling the 3D microstructure and performance of solid oxide fuel cell electrodes: Computational parameters

Qiong Cai, Claire S. Adjiman, Nigel P. Brandon

Journal:

Electrochimica Acta

Year:

2011

Language:

english

File:

PDF, 856 KB

english, 2011

29

Predicting enhanced absorption of light gases in polyethylene using simplified PC-SAFT and SAFT-VR

Andrew J. Haslam, Nicolas von Solms, Claire S. Adjiman, Amparo Galindo, George Jackson, Patrice Paricaud, Michael L. Michelsen, Georgios M. Kontogeorgis

Journal:

Fluid Phase Equilibria

Year:

2006

Language:

english

File:

PDF, 407 KB

english, 2006

30

A duality-based optimisation approach for the reliable solution of (P, T) phase equilibrium in volume-composition space

Frances E. Pereira, George Jackson, Amparo Galindo, Claire S. Adjiman

Journal:

Fluid Phase Equilibria

Year:

2010

Language:

english

File:

PDF, 744 KB

english, 2010

31

Simultaneous prediction of vapour–liquid and liquid–liquid equilibria (VLE and LLE) of aqueous mixtures with the SAFT-γ group contribution approach

Vasileios Papaioannou, Claire S. Adjiman, George Jackson, Amparo Galindo

Journal:

Fluid Phase Equilibria

Year:

2011

Language:

english

File:

PDF, 1.33 MB

english, 2011

32

Modelling system efficiencies and costs of two biomass-fuelled SOFC systems

A.O Omosun, A Bauen, N.P Brandon, C.S Adjiman, D Hart

Journal:

Journal of Power Sources

Year:

2004

Language:

english

File:

PDF, 156 KB

english, 2004

33

Anode-supported intermediate-temperature direct internal reforming solid oxide fuel cell: II. Model-based dynamic performance and control

P. Aguiar, C.S. Adjiman, N.P. Brandon

Journal:

Journal of Power Sources

Year:

2005

Language:

english

File:

PDF, 668 KB

english, 2005

34

Techno-economic modelling of a solid oxide fuel cell stack for micro combined heat and power

A.D. Hawkes, P. Aguiar, C.A. Hernandez-Aramburo, M.A. Leach, N.P. Brandon, T.C. Green, C.S. Adjiman

Journal:

Journal of Power Sources

Year:

2006

Language:

english

File:

PDF, 581 KB

english, 2006

35

Microstructural analysis of a solid oxide fuel cell anode using focused ion beam techniques coupled with electrochemical simulation

P.R. Shearing, Q. Cai, J.I. Golbert, V. Yufit, C.S. Adjiman, N.P. Brandon

Journal:

Journal of Power Sources

Year:

2010

Language:

english

File:

PDF, 589 KB

english, 2010

36

Global optimization of dynamic systems

I. Papamichail, C.S. Adjiman

Journal:

Computers & Chemical Engineering

Year:

2004

Language:

english

File:

PDF, 212 KB

english, 2004

37

Global optimization of MINLP problems in process synthesis and design

C.S. Adjiman, I.P. Androulakis, C.A. Floudas

Journal:

Computers & Chemical Engineering

Year:

1997

File:

PDF, 610 KB

1997

38

A global optimization method, αBB, for general twice-differentiable constrained NLPs — I. Theoretical advances

C.S. Adjiman, S. Dallwig, C.A. Floudas, A. Neumaier

Journal:

Computers & Chemical Engineering

Year:

1998

Language:

english

File:

PDF, 343 KB

english, 1998

39

A global optimization method, αBB, for general twice-differentiable constrained NLPs—II. Implementation and computational results

C.S. Adjiman, I.P. Androulakis, C.A. Floudas

Journal:

Computers & Chemical Engineering

Year:

1998

Language:

english

File:

PDF, 265 KB

english, 1998

40

Two results on bounding the roots of interval polynomials

D. Hertz, C.S. Adjiman, C.A. Floudas

Journal:

Computers & Chemical Engineering

Year:

1999

Language:

english

File:

PDF, 112 KB

english, 1999

41

Safety verification in chemical plants: A new quantitative approach

Journal:

Computers & Chemical Engineering

Year:

1999

Language:

english

File:

PDF, 404 KB

english, 1999

42

A spatially explicit whole-system model of the lignocellulosic bioethanol supply chain: an assessment of decentralised processing potential

Alex J Dunnett, Claire S Adjiman, Nilay Shah

Journal:

Biotechnology for Biofuels

Year:

2008

Language:

english

File:

PDF, 2.70 MB

english, 2008

43

Rigorous convex underestimators for general twice-differentiable problems

Claire S. Adjiman, Christodoulos A. Floudas

Journal:

Journal of Global Optimization

Year:

1996

Language:

english

File:

PDF, 781 KB

english, 1996

44

Proof of Convergence for a Global Optimization Algorithm for Problems with Ordinary Differential Equations

Ioannis Papamichail, Claire S. Adjiman

Journal:

Journal of Global Optimization

Year:

2005

Language:

english

File:

PDF, 197 KB

english, 2005

45

Comparison of two IT DIR-SOFC models: Impact of variable thermodynamic, physical, and flow properties. Steady-state and dynamic analysis

P. Iora, P. Aguiar, C.S. Adjiman, N.P. Brandon

Journal:

Chemical Engineering Science

Year:

2005

Language:

english

File:

PDF, 425 KB

english, 2005

46

Fluid phase stability and equilibrium calculations in binary mixtures: Part I: Theoretical development for non-azeotropic mixtures

A. Giovanoglou, A. Galindo, G. Jackson, C.S. Adjiman

Journal:

Fluid Phase Equilibria

Year:

2009

Language:

english

File:

PDF, 1.30 MB

english, 2009

47

Solid oxide fuel cell micro combined heat and power system operating strategy: Options for provision of residential space and water heating

A.D. Hawkes, P. Aguiar, B. Croxford, M.A. Leach, C.S. Adjiman, N.P. Brandon

Journal:

Journal of Power Sources

Year:

2007

Language:

english

File:

PDF, 912 KB

english, 2007

48

Global optimization for clusters of flexible molecules—solvent–solute interaction energy calculations

Aileen Cheung, Claire S. Adjiman, Petr Kolar, Takeshi Ishikawa

Journal:

Fluid Phase Equilibria

Year:

2002

Language:

english

File:

PDF, 175 KB

english, 2002

49

A Rigorous Global Optimization Algorithm for Problems with Ordinary Differential Equations

Ioannis Papamichail, Claire S. Adjiman

Journal:

Journal of Global Optimization

Year:

2002

Language:

english

File:

PDF, 321 KB

english, 2002

50

Biomass to Heat Supply Chains: Applications of Process Optimization

A. Dunnett, C. Adjiman, N. Shah

Journal:

Process Safety and Environmental Protection

Year:

2007

Language:

english

File:

PDF, 495 KB

english, 2007

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