A method to select appropriate green solvents for the promotion of a class of organic reactions has been developed. The method combines knowledge from industrial practice and physical insights with computer-aided property estimation tools for selection/design of solvents. In particular, it employs estimates of thermodynamic properties to generate a knowledge base of reaction, solvent and enviro...

A study was conducted to develop a solvent system that will clean egg yolk samples and concentrate cholesterol oxides effectively before analysis. Cholesterol oxide standards or lipid samples (0.2 g) loaded onto a silicic column were washed with a portion of Solvent I (hexane/diethyl ether, 9:1, vol/vol) and then with Solvent II. Four different Solvent II preparations (Solvent IIa, hexane:ethyl...

Morphological transformations in polymer brushes in a binary mixture of good and bad solvents are studied using dissipative particle dynamics simulations drawing on a characteristic example of polyisoprene natural rubber in an acetone-benzene mixture. A coarse-grained DPD model of this system is built based on the experimental data in the literature. We focus on the transformation of dense, col...

A value chain is a series of events that takes a raw material and with each step adds value to it. Global interest in the application of natural gas (NG) in production and transportation has grown dramatically, representing a long-term, low-cost, domestic, and secure alternative to petroleum-based fuels. Many technological solutions are currently considered on the market or in development, whic...

Furfural comes from lignocellulosic biomass that, together with its derived products, has many useful applications in several industries. is usually obtained via pentose dehydration using a biphasic reactor to extract furfural situ reaction medium. However, the conventional solvents used so far, mainly toluene and methyl isobutyl ketone (MIBK), are harmful health environment. Therefore, hydroph...

Smaller fibers are welcome in many applications due to larger surface area, but there is a threshold for smallest fixed spinning system. In order further improve hierarchical structure considered this paper using electrospinning. A bi-solvent system used our experiment fast solvent evaporation. Unsmooth nanofibers obtained, and the formation mechanism elucidated.

Molecular mechanics Poisson-Boltzmann surface area (MM-PBSA), a method to estimate interaction free energies, has been increasingly used in the study of biomolecular interactions. Recently, this method has also been applied as a scoring function in computational drug design. Here a new tool g_mmpbsa, which implements the MM-PBSA approach using subroutines written in-house or sourced from the GR...