Liquid−Liquid Equilibria of Dendrimer in Polar Solvent

Abstract

We present the liquid-liquid equilibria of a homogeneous dendrimer solution using a lattice cluster theory and a specific interaction model. We examined the phase behavior of dendrimer solutions by varying the dendrimer generation number, the number of bonds between two consecutive branch points along a chain, and the strength of specific interaction among end-groups of dendrimer and solvent molecules. There was only a slight change in the liquid-liquid coexistence curve of dendrimer solutions for various generation numbers. The critical temperature increases with decreasing generation number and increasing separator length. Our results show that the coexistence curve shows a great dependence on specific interactions and structure factors.

Impact of Water on the Miscibility of DAB-dendr-(NH2)64 and Benzene

“…This supposition cannot be verified since, according to our knowledge to date, there have been no experimental liquid−liquid phase equilibria in binary dendrimer solutions reported in the literature. Theoretical considerations on phase behavior in dendrimer solutions suggest that depending on the interaction energies between solvent molecules and the dendrimer both an upper and a lower miscibility gap are encountered. , The scheme of phase behavior in dendrimer solutions emerging from molecular simulations is similar to that observed in other asymmetric systems . Modeling of phase equilibria in these systems is focused on the influence of branching and the nature of the surface end groups on the position and the extent of the miscibility gap.…”

Unusual liquid–liquid phase transition in aqueous mixtures of a well-known dendrimer

“…43 In relation to LLPS, there are theoretical studies on dendrimer systems. [44][45][46] However, to our knowledge, there is no experimental study on this phase transition.…”

Hyperbranched Polymers in a Supercritical Fluid: Recent Progress on Phase Behavior and Modeling

“…Experimental results on the phase behavior and density data offer a database for the theoretical researchers to develop and test suitable thermodynamic models to predict the solution behavior of hyperbranched polymer systems. Earlier modeling work includes Monte Carlo simulation by Lue [64] and Timoshenko and Kuznetsov [65], molecular dynamics method by Steinhauser [66], lattice cluster theory (LCT) modeling by Jang, et al [45,[67][68][69][70][71], universal functional activity coefficients-free-volume (UNIFAC-FV) method by Kouskoumvekaki, et al [72] and Seiler, et al [47], etc., which have been reviewed by Seiler [7]. In the past eight years after the review, more models have been developed for hyperbranched polymer systems accompanied with a deeper understanding of the hyperbranched polymer architecture and an increasing number of low-pressure and high-pressure experimental data.…”

“…Enders' group [41-44, 74, 75] predicted the lowpressure phase behavior of hyperbranched polyester systems with an incompressible LCT model. Compared with earlier work done by Jang, et al [45,[67][68][69][70][71], the authors introduced several corrections and combined a more realistic method for determination of the geometric parameters [74]. In this model, only one parameter, the interaction energy, needed to be adjusted to the maximum of the cloud-point curve and the polymer architecture effect can be considered geometrically without any adjustable parameter [74].…”