Micellar-enhanced ultrafiltration for the solubilization of various phenolic compounds with different surfactants.

Micellar-enhanced ultrafiltration (MEUF) was applied to the separation of phenolic compounds p-nitrophenol (PNP), p-chlorophenol (PCP), p-cresol (PC) and phenol (P) from effluents using a hydrophilic polyethersulfone ultrafiltration membrane. Cationic cetylpyridinium chloride (CPC), nonionic TX-100 and anionic sodium dodecyl benzene sulfonate (SDBS) were chosen as the surfactants. Several important parameters, i.

Effect of low-concentration rhamnolipid on adsorption of Pseudomonas aeruginosa ATCC 9027 on hydrophilic and hydrophobic surfaces.

The effects of low-concentration monorhamnolipid (monoRL) on the adsorption of Pseudomonas aeruginosa ATCC 9027 grown on glucose or hexadecane to glass beads with hydrophobic or hydrophilic surfaces was investigated using batch adsorption experiments. Results showed that adsorption isotherms of the cells on both types of glass beads fitted the Freundlich equation better than the Langmuir equation. The Kf of the Freundlich equation for adsorption of hexadecane-grown cell to glass beads with hydrophobic surface was remarkably higher than that for adsorption of hexadecane-grown cell to glass beads with hydrophilic surface, or glucose-grown cell to glass beads with either hydrophilic or hydrophobic surface.

Local and nonlocal contributions to molecular first-order hyperpolarizability: a Hirshfeld partitioning analysis.

Based on first-principles calculations, a decomposition scheme is proposed to investigate the molecular site-specific first-order hyperpolarizability (β) responses by means of Hirshfeld population analysis and finite field method. For a molecule, its β is decomposed into local and nonlocal contributions of individual atoms or groups. The former describes the response within the atomic sphere, while the latter describes the contributions from interatomic charge transfer.

Theoretical investigation of adsorption of molecular oxygen on small copper clusters.

Adsorption of molecular oxygen on Cu(N) (N = 2-10) clusters is investigated using density functional theory under the generalized gradient approximation of Perdew-Burke-Ernzerhof. An extensive structure search is performed to identify low-energy conformations of Cu(N)O(2) complexes. Optimal adsorption sites are assigned for low-energy isomers of the clusters.