Publications

  1. S. Morsch*, C. R. Wand*, S. Gibbon, M. Irwin, F. R. Siperstein, S. Lyon, The Effect of Cross-linker Structure on Interfacial Interactions, Polymer Dynamics and Network Composition in an Epoxy-Amine Resin Appl. Surf. Sci. 609 (2023) 155380 (* = joint first authors)
    Article
  2. C. R. Wand, S. Gibbon, P. Visser, F. R. Siperstein, Water-mediated epoxy/surface adhesion: understanding the interphase region. Eur. J. Chem. 28 (2022) e202202483
    Article
  3. S. Morsch, C. R. Wand, S. Emad, S. Lyon, F. Siperstein, M. Malanin, J. Muche, A. Caspari, A. Drechsler, K-J. Eichhorn and S. Gibbon, Molecular origins of Epoxy-Amine/Iron oxide interphase formation. J. Colloid Int. Sci. 613 (2022) 415-425
    Article
    Plain English Summary
  4. C. R. Wand, S. Gibbon, F. R. Siperstein, Adsorption of Epoxy Oligomers on Iron Oxide Surfaces: The Importance of Surface Treatment and the Role of Entropy, Langmuir, 37, (2021), 12409–12418
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  5. M. Panoukidou, C. R. Wand, P. Carbone, Comparison of equilibrium techniques for the viscosity calculation from DPD simulations, Soft Matter, 17 (2021) 8343-8353
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  6. C. R. Wand, M. Panoukidou, A. Del Regno, R. L. Anderson, P. Carbone, The scission energy of wormlike micelles composed of Sodium laurylethersulphate and cocamidopropyl betaine, Langmuir, 36 (2020) 12288-12298
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  7. C. R. Wand, and M. A. Bates, Chiral nematic liquid crystals in torus-shaped and cylindrical cavities, Phys. Rev. E. 100 (2019) 052702
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  8. M. Panoukidou, C. R. Wand, A. Del Regno, R. L. Anderson and P. Carbone, Constructing the phase diagram of anionic surfactants using dissipative particle dynamics, J. Colloid Int. Sci. 557 (2019) 34-44
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  9. C. R. Wand, M. Fayaz-Torshzi, G. Jimenez-Serratos, E. A. Müller, and D. Frenkel, Solubilities of pyrene in organic solvents: Comparison between chemical potential calculations using a cavity-based method and direct coexistence simulations J. Chem. Thermodynamics, 131 (2019) 620–629
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  10. J. R. Espinosa, C. R. Wand, C. Vega, E. Sanz, and D. Frenkel, Calculation of the water-octanol partition coefficient of cholesterol for SPC, TIP3P and TIP4P water. J. Chem. Phys., 149 (2018) 224501
    Article
  11. C. R. Wand, T. S. Totton, and D. Frenkel, Addressing hysteresis and slow equilibration issues in cavity-based calculation of chemical potentials. J. Chem. Phys., 149, (2018)014105
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  12. C. R. Wand, and K. Bolton, Negative thermal expansion of poly(vinylidene fluoride) and polyethylene tie molecules: A molecular dynamics study. J. Polym. Sci. Part B: Polym. Phys., 54 (2016) 2223–2232
    Article
  13. C. R. Wand, and M. A. Bates, Monte Carlo simulations of nematic and chiral nematic shells, Phys. Rev. E,91 (2015)012502.
    Article
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Invited talks

  1. ‘Diffusion in Coatings’ Formulating Functional Films and Coatings IV, 8th December 2021 Available here
  2. ‘Molecular modelling in formulation’ AkzoNobel, Online, 21st April 2020.
  3. ‘Transitions in Science: Phase and Gender’ University of St Andrews, UK, 6th November 2019.

Conference Oral Presentations (selected)

  1. ‘Understanding water diffusion through organic corrosion protection coatings: Insights from computer simulations’ Charlie Wand, Simon Gibbon, Flor Siperstein, Corrosion Science Symposium and Advances in Corrosion Protection by Organic Coatings, Manchester, UK 6-9 September 2021.
  2. ‘Computer simulations of epoxy binding on Iron Oxide surfaces’ Charlie Wand, Simon Gibbon, Flor Siperstein, CCP5 AGM, Online, 8 September 2020.
  3. ‘Computer simulations of Sodium Laureth Sulphate Wormlike Micelles’ Charlie Wand, Paola Carbone, Andrew Masters, Formula X, Manchester, UK, 24-27 June 2019.
  4. ‘Calculating the scission free energy of wormlike micelles using dissipative particle dynamics simulations’ Charlie Wand, Paola Carbone, Andrew Masters, British Liquid Crystal Society AGM, Leeds, UK, 15-18 April 2019.
  5. ‘Using DPD for rheological properties’ Charlie Wand, Transition Path Sampling Simulations via PyRETIS, Lorentz Center, Leiden, The Netherlands, 11-15 March 2019.

Conference Poster Presentations (selected)

  1. ‘A hop, skip and jump: Computer simulations of water diffusion through organic corrosion protection coatings’ Charlie Wand, Simon Gibbon, Peter Visser, Flor Siperstein, Thermodynamics, Bath, UK 7-9 September 2022.
  2. ‘What makes paint stick? Insights from computer simulations of epoxy resin binding on iron oxide/oxide-hydroxide surfaces’ Charlie Wand, Simon Gibbon, Flor Siperstein, 15th International Conference on Materials Chemistry, Online, 12-15 July 2021.
  3. ‘Investigating the refreezing of ice cream using computer simulations’ Charlie Wand, Vista Winnie Wangia, The STEM Village, Online 26 August 2020. Short presentation can be seen here.
  4. ‘Computer simulations of epoxy binding on Iron Oxide surfaces’ Charlie Wand, Simon Gibbon, Flor Siperstein, Formulating Functional Films and Coatings III, Online, 19 August 2020.
  5. ‘Calculating the scission free energy of worm-like micelles using dissipative particle dynamic simulations’ Charlie Wand, Paola Carbone, Andrew Masters, CCP5 AGM, Manchester, UK, 10-12 September 2018.
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