Oil-water partitioning, solubilities, and vapor pressure experiments on small-molecule compounds are often used as models to obtain energies for biomolecular modeling. For example, measured partition coefficients, K, are often inserted into the formula -RT in K to obtain quantities thought to represent microscopic contact interaction free energies. We review evidence here that this procedure do...

Hydrophilic and hydrophobic weak polybasic brushes immersed in aqueous solutions of mixed salt counterions are considered using a mean-field numerical self-consistent field approach. On top of the solvent quality of the polymer, the counterion-solvent interactions are accounted for by implementing Flory-Huggins interaction parameters. We show that ion specificity within the brush can bring abou...

Blends of diamidonaphthyridine (Napy) end-functional poly(n-butyl acrylate) (PnBA) and ureidopyrimidinone (UPy) end-functional poly(benzyl methacrylate) (PbnMA) were studied as a function of the component molecular weights to compare with prior theoretical predictions. Macroscopic phase separation was observed to be prevented by the reversible association of end-functional polymers to form supr...

The compatibility potential of rejuvenators plays an important role in improving the blending degree rejuvenated bitumen. This study aims at estimating efficiency molecular dynamics (MD) simulation predicting between and aged bitumen, exploring influence rejuvenator type, aging temperature on potential. thermal storage stability binders is evaluated to validate prediction. Afterward, underlying...

Dense flat-sheet membranes were prepared from poly(2,6-dimethyl-1,4-phenylene oxide) (PPO) using the casting solvents chloroform and 1,1,2-trichloroethylene. X-ray diffraction, tapping mode atomic force microscopy (TM-AFM), and contact angle studies were used to characterize the membranes. The surface energy and the solubility parameters of the PPO membranes were determined from the measured co...

Phase separation in polymer blends is an important process. However, the compositions of the coexisting phases can only be predicted by numerical methods. We provide simple analytical expressions which serve as good approximations for the compositions after phase separation of binary homopolymer blends. These approximations are obtained by a stationary dynamics approach: we calculate the compos...

A wealth of valuable data is locked within the millions of research articles published each year. Reading and extracting pertinent information from those articles has become an unmanageable task for scientists. This problem hinders scientific progress by making it hard to build on results buried in literature. Moreover, these data are loosely structured, encoded in manuscripts of various format...

In this paper, we present new data on non-stationary heating of a platinum wire probe, immersed in binary partially-miscible liquid. A pressure value and mass fraction the polymer mixture were experimental parameters. The characteristic time was from 5 to 15 ms. object research water/polypropylene glycol-425 (PPG-425) having lower critical solution temperature (LCST). position diffusion spinoda...

Cooking-induced conversion of starch, the major carbohydrate in pulses, is crucial for digestibility seed. The gelatinization-melting transition lentil, bean and chickpea starches was studied using Differential Scanning Calorimetry at different temperatures (T values ranged from 20 to 160 °C) water contents (X 0.2 3 kg kg−1 db). Gelatinization melting endotherms were successfully modeled as two...

Experimental cloud-point data were obtained by cloud-point titration. The phase diagram for a ternary system of water–dimethylformamide–polyacrylonitrile was determined by numerical calculation on the basis of the extended Flory–Huggins theory and was found to agree well with the cloud-point data. To construct the theoretical phase diagram, three binary interaction parameters were obtained with...