A simple model, i.e. sodium di(2-ethylhexyl) sulfosuccinate (AOT) represented by one-head and two-tail beads tied together by a harmonic spring and water or isooctane by one bead, was put forward via Dissipative Parti...A simple model, i.e. sodium di(2-ethylhexyl) sulfosuccinate (AOT) represented by one-head and two-tail beads tied together by a harmonic spring and water or isooctane by one bead, was put forward via Dissipative Particles Dynamics (DPD) simulation method. Using the changes of interfacial tension between water and oil phase, a ternary phase diagram of AOT/water/isooctane system was drawn. From the simulation, one conclusion is shown that DPD simulation can be considered as an adjunct to experiments.展开更多
The phase behavior of bimodal molecular weight high density polyethylene(BHDPE) in solid state was investigated.Hildebrand solubility parameters(δ) were calculated for the models of blends of higher molecular weight ...The phase behavior of bimodal molecular weight high density polyethylene(BHDPE) in solid state was investigated.Hildebrand solubility parameters(δ) were calculated for the models of blends of higher molecular weight branch polyethylene(HBPE) with different branch contents and lower molecular weight linear polyethylene(LLPE),by using molecular dynamics(MD) simulations.These 3 values were then used to calculate the corresponding Flory-Huggins interaction parameter(x) between HBPE and LLPE models.In order to b...展开更多
文摘A simple model, i.e. sodium di(2-ethylhexyl) sulfosuccinate (AOT) represented by one-head and two-tail beads tied together by a harmonic spring and water or isooctane by one bead, was put forward via Dissipative Particles Dynamics (DPD) simulation method. Using the changes of interfacial tension between water and oil phase, a ternary phase diagram of AOT/water/isooctane system was drawn. From the simulation, one conclusion is shown that DPD simulation can be considered as an adjunct to experiments.
基金supported by the National Natural Science Foundation of China(Nos.20490220,20774036).
文摘The phase behavior of bimodal molecular weight high density polyethylene(BHDPE) in solid state was investigated.Hildebrand solubility parameters(δ) were calculated for the models of blends of higher molecular weight branch polyethylene(HBPE) with different branch contents and lower molecular weight linear polyethylene(LLPE),by using molecular dynamics(MD) simulations.These 3 values were then used to calculate the corresponding Flory-Huggins interaction parameter(x) between HBPE and LLPE models.In order to b...
