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1.	Harutyunyan, A., et al. (author) Hidden features of the catalyst nanoparticles favorable for single-walled carbon nanotube growth 2007 In: Applied Physics Letters. - : American Institute of Physics. - 0003-6951 .- 1077-3118. ; 90:16 Journal article (peer-reviewed)
2.	Harutyunyan, A. R., et al. (author) Reduced carbon solubility in fe nanoclusters and implications for the growth of single-walled carbon nanotubes 2008 In: Physical Review Letters. - : American Physical Society. - 0031-9007 .- 1079-7114. ; 100:19 Journal article (peer-reviewed)
3.	Moodley, S., et al. (author) Gibbs ensemble Monte Carlo simulations of binary vapour-liquid-liquid equilibrium : application to n-hexane/water and ethane/ethanol systems 2010 In: Molecular Simulation. - : Taylor & Francis Ltd.. - 0892-7022 .- 1029-0435. ; 36:10, s. 758-762 Journal article (peer-reviewed)abstract Gibbs ensemble Monte Carlo (GEMC) simulations in the isochoric-isothermal (NVT) ensemble were used to simulate vapour-liquid-liquid equilibrium (VLLE) for binary n-hexane-water and ethane-ethanol mixtures. The GEMC simulation of binary VLLE data proved to be extremely difficult and that is probably the reason why the open literature is so sparse with simulations for these types of systems. The results presented in this paper are to our knowledge the first successful binary three-phase GEMC simulations of non-idealised fluid systems. This paper also shows that the isobaric-isothermal (NPT) ensemble is unsuitable for the simulation of phase equilibria of binary three-phase systems.

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Type of publication: journal article (3)

Type of content: peer-reviewed (3)

Author/Editor: Bolton, Kim (2); Curtarolo, S. (2); Tokune, T. (2); Mora, E. (2); Jiang, A. (2); Awasthi, N. (2); show more...; Harutyunyan, A. (1); Johansson, E (1); Ramjugernath, D. (1); Bolton, Kim, 1964 (1); Harutyunyan, A.R. (1); Setyawan, W. (1); Epstein, A. (1); Moodley, S. (1); show less...

University: University of Borås (3)Undo refine; University of Gothenburg (1)

Language: English (3)

Research subject (UKÄ/SCB): Natural sciences (2)

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