01992nas a2200229   4500008004100000022001400041245008900055210006900144260000900213300001200222490000800234520124000242653001901482653001901501653002501520653002601545653001801571100001801589700002401607700001501631856011601646       2018                        eng d  a0167-732200aPhase diagram of self-assembled sophorolipid morphologies from mesoscale simulations0 aPhase diagram of selfassembled sophorolipid morphologies from me  cMAR   a198-2070 v2543 a<p>We have constructed a phase diagram from the self-assembled morphologies of linolenic acid sophorolipid in water by performing mesoscale simulations in different concentrations. The dependence of morphologies and its properties of the self-assembled structure as a function of the concentration of bolaamphiphile in water are investigated. Two hydrophilic head groups and one hydrophobic tail group of bolaamphiphile have been mapped to beads for mesoscale simulation. The interaction parameters between different beads are calculated using Flory-Huggins solution theory. Flory-Huggins x-parameters have been calculated from atomistic simulation and experimental data of pure components constituting linolenic acid sophorolipid. We have obtained different self-assembled morphologies depending upon the concentrations of sophorolipid in water. We have explored the arrangements of hydrophobic and hydrophilic groups of the sophorolipid chains in the different morphologies. The sophorolipid chains found to be present in different structural arrangements. The residence time and flip frequency of these lipids in different orientations have been calculated and discussed in this work. (C) 2018 Elsevier B.V. All rights reserved.</p>10aBolaamphiphile10aFlip frequency10aMesoscale simulation10aOrientation of chains10aSelf-assembly1 aSarkar, Sujit1 aChakraborty, Souvik1 aRoy, Sudip  uhttps://library.ncl.res.in/content/phase-diagram-self-assembled-sophorolipid-morphologies-mesoscale-simulations