Adjiman CS - Search Results

1

Modelling and prediction of the thermophysical properties of aqueous mixtures of choline geranate and geranic acid (CAGE) using SAFT-γ Mie.

Di Lecce S, Lazarou G, Khalit SH, Adjiman CS, Jackson G, Galindo A, McQueen L. Di Lecce S, et al. Among authors: adjiman cs. RSC Adv. 2019 Nov 21;9(65):38017-38031. doi: 10.1039/c9ra07057e. eCollection 2019 Nov 19. RSC Adv. 2019. PMID: 35541791 Free PMC article.

2

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

Lymperiadis A, Adjiman CS, Galindo A, Jackson G. Lymperiadis A, et al. Among authors: adjiman cs. J Chem Phys. 2007 Dec 21;127(23):234903. doi: 10.1063/1.2813894. J Chem Phys. 2007. PMID: 18154411

3

Transferable SAFT-VR models for the calculation of the fluid phase equilibria in reactive mixtures of carbon dioxide, water, and n-alkylamines in the context of carbon capture.

Mac Dowell N, Pereira FE, Llovell F, Blas FJ, Adjiman CS, Jackson G, Galindo A. Mac Dowell N, et al. Among authors: adjiman cs. J Phys Chem B. 2011 Jun 30;115(25):8155-68. doi: 10.1021/jp107467s. Epub 2011 Jun 2. J Phys Chem B. 2011. PMID: 21634388

4

SAFT-γ force field for the simulation of molecular fluids. 1. A single-site coarse grained model of carbon dioxide.

Avendaño C, Lafitte T, Galindo A, Adjiman CS, Jackson G, Müller EA. Avendaño C, et al. Among authors: adjiman cs. J Phys Chem B. 2011 Sep 29;115(38):11154-69. doi: 10.1021/jp204908d. Epub 2011 Sep 2. J Phys Chem B. 2011. PMID: 21815624 Free article.

5

SAFT-γ force field for the simulation of molecular fluids: 2. Coarse-grained models of greenhouse gases, refrigerants, and long alkanes.

Avendaño C, Lafitte T, Adjiman CS, Galindo A, Müller EA, Jackson G. Avendaño C, et al. Among authors: adjiman cs. J Phys Chem B. 2013 Mar 7;117(9):2717-33. doi: 10.1021/jp306442b. Epub 2013 Feb 27. J Phys Chem B. 2013. PMID: 23311931

6

Computer-aided molecular design of solvents for accelerated reaction kinetics.

Struebing H, Ganase Z, Karamertzanis PG, Siougkrou E, Haycock P, Piccione PM, Armstrong A, Galindo A, Adjiman CS. Struebing H, et al. Among authors: adjiman cs. Nat Chem. 2013 Nov;5(11):952-7. doi: 10.1038/nchem.1755. Epub 2013 Sep 22. Nat Chem. 2013. PMID: 24153374 Free article.

7

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

Lafitte T, Apostolakou A, Avendaño C, Galindo A, Adjiman CS, Müller EA, Jackson G. Lafitte T, et al. Among authors: adjiman cs. J Chem Phys. 2013 Oct 21;139(15):154504. doi: 10.1063/1.4819786. J Chem Phys. 2013. PMID: 24160524 Free article.

8

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

Papaioannou V, Lafitte T, Avendaño C, Adjiman CS, Jackson G, Müller EA, Galindo A. Papaioannou V, et al. Among authors: adjiman cs. J Chem Phys. 2014 Feb 7;140(5):054107. doi: 10.1063/1.4851455. J Chem Phys. 2014. PMID: 24511922 Free article.

9

On the use of molecular-based thermodynamic models to assess the performance of solvents for CO₂ capture processes: monoethanolamine solutions.

Brand CV, Graham E, Rodríguez J, Galindo A, Jackson G, Adjiman CS. Brand CV, et al. Among authors: adjiman cs. Faraday Discuss. 2016 Oct 20;192:337-390. doi: 10.1039/c6fd00041j. Faraday Discuss. 2016. PMID: 27604680 Free article.

10

Hybrid QSPR models for the prediction of the free energy of solvation of organic solute/solvent pairs.

Borhani TN , García-Muñoz S , Vanesa Luciani C , Galindo A , Adjiman CS . Borhani TN , et al. Among authors: adjiman cs. Phys Chem Chem Phys. 2019 Jun 26;21(25):13706-13720. doi: 10.1039/c8cp07562j. Phys Chem Chem Phys. 2019. PMID: 31204418 Free article.

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