Haslam AJ - Search Results

1

Pseudo hard-sphere potential for use in continuous molecular-dynamics simulation of spherical and chain molecules.

Jover J, Haslam AJ, Galindo A, Jackson G, Müller EA. Jover J, et al. Among authors: haslam aj. J Chem Phys. 2012 Oct 14;137(14):144505. doi: 10.1063/1.4754275. J Chem Phys. 2012. PMID: 23061853

2

New methods for calculating the free energy of charged defects in solid electrolytes.

Horton RM, Haslam AJ, Galindo A, Jackson G, Finnis MW. Horton RM, et al. Among authors: haslam aj. J Phys Condens Matter. 2013 Oct 2;25(39):395001. doi: 10.1088/0953-8984/25/39/395001. Epub 2013 Aug 20. J Phys Condens Matter. 2013. PMID: 23959934

3

Effective coarse-grained solid-fluid potentials and their application to model adsorption of fluids on heterogeneous surfaces.

Forte E, Haslam AJ, Jackson G, Müller EA. Forte E, et al. Among authors: haslam aj. Phys Chem Chem Phys. 2014 Sep 28;16(36):19165-80. doi: 10.1039/c4cp00670d. Phys Chem Chem Phys. 2014. PMID: 24872092

4

Perturbation Theory versus Thermodynamic Integration. Beyond a Mean-Field Treatment of Pair Correlations in a Nematic Model Liquid Crystal.

Schoen M, Haslam AJ, Jackson G. Schoen M, et al. Among authors: haslam aj. Langmuir. 2017 Oct 24;33(42):11345-11365. doi: 10.1021/acs.langmuir.7b01849. Epub 2017 Sep 5. Langmuir. 2017. PMID: 28772076 Free article.

5

Structure and Interfacial Tension of a Hard-Rod Fluid in Planar Confinement.

Brumby PE, Wensink HH, Haslam AJ, Jackson G. Brumby PE, et al. Among authors: haslam aj. Langmuir. 2017 Oct 24;33(42):11754-11770. doi: 10.1021/acs.langmuir.7b02254. Epub 2017 Oct 9. Langmuir. 2017. PMID: 28885848 Free article.

6

An investigation of free-energy-averaged (coarse-grained) potentials for fluid adsorption on heterogeneous solid surfaces.

Ravipati S , Galindo A , Jackson G , Haslam AJ . Ravipati S , et al. Among authors: haslam aj. Phys Chem Chem Phys. 2019 Nov 27;21(46):25558-25568. doi: 10.1039/c9cp02601k. Phys Chem Chem Phys. 2019. PMID: 31538169

7

Ab initio development of generalized Lennard-Jones (Mie) force fields for predictions of thermodynamic properties in advanced molecular-based SAFT equations of state.

Walker PJ, Zhao T, Haslam AJ, Jackson G. Walker PJ, et al. Among authors: haslam aj. J Chem Phys. 2022 Apr 21;156(15):154106. doi: 10.1063/5.0087125. J Chem Phys. 2022. PMID: 35459299

8

Molecular theory of the static dielectric constant of dipolar fluids.

Kournopoulos S, Haslam AJ, Jackson G, Galindo A, Schoen M. Kournopoulos S, et al. Among authors: haslam aj. J Chem Phys. 2022 Apr 21;156(15):154111. doi: 10.1063/5.0079511. J Chem Phys. 2022. PMID: 35459323

9

The Contribution of the Ion-Ion and Ion-Solvent Interactions in a Molecular Thermodynamic Treatment of Electrolyte Solutions.

Kournopoulos S, Santos MS, Ravipati S, Haslam AJ, Jackson G, Economou IG, Galindo A. Kournopoulos S, et al. Among authors: haslam aj. J Phys Chem B. 2022 Dec 1;126(47):9821-9839. doi: 10.1021/acs.jpcb.2c03915. Epub 2022 Nov 17. J Phys Chem B. 2022. PMID: 36395498 Free PMC article.

10

Modeling the Thermodynamic Properties of Saturated Lactones in Nonideal Mixtures with the SAFT-γ Mie Approach.

Bernet T, Wehbe M, Febra SA, Haslam AJ, Adjiman CS, Jackson G, Galindo A. Bernet T, et al. Among authors: haslam aj. J Chem Eng Data. 2023 Nov 10;69(2):650-678. doi: 10.1021/acs.jced.3c00358. eCollection 2024 Feb 8. J Chem Eng Data. 2023. PMID: 38352073 Free PMC article.

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