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A comparative study of critical temperature estimation of atomic fluid and chain molecules using fourth-order Binder cumulant and simplified scaling laws
Authors:Sudhir K Singh  Jayant K Singh
Institution:1. Department of Chemical Engineering , Institute of Chemical Technology Mumbai , Mumbai , 400019 , India sksingh@thapar.edu;3. Department of Chemical Engineering , Indian Institute of Technology Kanpur , Kanpur , 208016 , India
Abstract:Grand-canonical transition-matrix Monte Carlo simulation with histogram reweighting and finite-size scaling technique are used to calculate fourth-order Binder cumulant of order parameter along the vapour–liquid coexistence line to calculate the critical temperature of bulk and confined square-well fluid in slit pore of two pore sizes. Further, this approach is utilised to estimate the critical temperatures of relatively more complex fluids such as n-alkanes confined in graphite and mica slit pores of different slit widths. The estimated critical temperatures are compared with the critical temperature obtained for the same systems using simplified form of the scaling law. This investigation reveals that critical temperatures of simple and complex fluids in bulk state and under confinement, estimated using the scaling law, are within reasonable accuracy with that obtained using more accurate and rigorous approach of fourth-order Binder's cumulant.
Keywords:grand canonical  Binder cumulant  crtitical temperature  slit pore  alkanes
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