Predicting and understanding the phase equilibria or separation in polymer–solvent solutions represent unresolved fundamental problems polymer science. The behavior thermodynamics of miscibility depend on inter- intramolecular interactions a with certain molecular weight distribution mixed solvent. Here, we develop machine-learning framework to achieve highly generalized robust prediction Flory...

Aqueous two-phase systems consisting of polyethylene glycol (PEG), sodium polyacrylate (NaPAA), and a salt have been studied. The effects of the polymer size, salt type (NaCl, Na2SO4, sodium adipate and sodium azelate) and salt concentrations on the position of the binodal curve were investigated. The investigated PEG molecules had a molar mass of 2,000 to 8,000 g/mol, while that of NaPAA was 8...

Polymer-RISM theory is applied to study athermal polymeric lattice fluids. The intermolecular segmental distributions and the compressibility equation of state (EoS) have been obtained within the approach for three different intramolecular distribution functions, i.e., the random flight, the non reversal random walk, and an intramolecular distribution obtained from Monte Carlo simulations. Both...

We review recent simulation studies of interfaces between immiscible homopolymer phases. Special emphasis is given to the presentation of efficient simulation techniques and powerful methods of data analysis, such as the analysis of capillary wave spectra. Possible reasons for polymer incompatibility and ways to relate model dependent interaction parameters to an effective Flory Huggins paramet...

– The Flory Huggins equation of state for monodisperse polymers can be turned into a density functional by adding a square gradient term, with a coefficient fixed by appeal to RPA (random phase approximation). We present instead a model nonlocal functional in which each polymer is replaced by a deterministic, penetrable particle of known shape. This reproduces the RPA and square gradient theori...

BACKGROUND Reducing the amount of water-soluble fermentation inhibitors like furfural is critical for downstream bio-processing steps to biofuels. A theoretical approach for tailoring absorption polymers to reduce these pretreatment contaminants would be useful for optimal bioprocess design. RESULTS Experiments were performed to measure aqueous furfural partitioning into polymer resins of 5 b...

Following the observation of Huggins el al., preliminary experi ments have been carried out with the view to developing param eters necessary in the adaption of the 7,12-dimethylbenzanthracene (DMHA)-induced mammary adenocarcinoma in the female rat for the routine evaluation of potential anticancer agents being considered for trial against certain cancers of the breast in women or in a search f...

Fundamental frequency (F0) discrimination between two sequentially presented complex (target) tones can be impaired in the presence of an additional complex tone (the interferer) even when filtered into a remote spectral region [Gockel, H., et al. (2004). J. Acoust. Soc. Am. 116, 1092-1104]. This "pitch discrimination interference" (PDI) is greatest when the interferer and target have similar F...

Hyperbranched polymers show an outstanding potential for applications ranging from chemistry over nanotechnology to pharmacy. In order to take advantage of this potential, the underlying phase behaviour must be known. From the thermodynamic point of view, the modelling of these phase diagrams is quite challenging, because the thermodynamic properties depend on the architecture of the hyperbranc...