Atomistic Modeling of Natural Gas Desulfurization Process Using Task-Specific Deep Eutectic Solvents Supported by Graphene Oxide.

This study employs Density Functional Theory (DFT) calculations and traditional all-atom Molecular Dynamics (MD) simulations to reveal atomistic insights into a task-specific Deep Eutectic Solvent (DES) supported by graphene oxide with the aim of mimicking its application in the natural gas desulfurization process. The DES, composed of N,N,N',N'-tetramthyl-1,6-hexane diamine acetate (TMHDAAc) and methyldiethanolamine (MDEA) supported by graphene oxide, demonstrates improved efficiency in removing hydrogen sulfide from methane. Optimized structure and HOMO-LUMO orbital analyses reveal the distinct spatial arrangements and interactions between hydrogen sulfide, methane, and DES components, highlighting the efficacy of the DES in facilitating the separation of hydrogen sulfide from methane through DFT calculations.

Perylene Derivative Dyes Luminescence in Polysiloxane Matrix in Presence of Gold Nanoparticles.

Four perylene derivatives, including commercially available dyes Lumogen Red and Lumogen Orange, as well as 1,6,7,12-tetrachlоrоperylene-3,4,9,10-tetradicarboxydianhydride (Dye I) and 3,4:9,10-bis(1,2-benzimidazole)- 1,6,7,12-tetra(4-tert-octylphenoxy) perylene (syn/ anti-isomers) (Dye III, which was prepared from dye I through intermediate 3,4:9,10-bis(1,2-benzimidazole)-1,6,7,12-tetrachloro perylene (Dye II)) were used for preparation of polysiloxane samples (PSi) containing different concentrations of gold nanoparticles (GN). Dyes I and III demonstrate significant fluorescence intensity increase upon addition of GN independent on excitation energy. For Lumogen Red composition in PSi some increase of fluorescence intensity was observed upon addition of small concentrations of GN, while further increase of GN concentration quenches fluorescence.

Fluorescent chemosensor for detection and quantitation of carbon dioxide gas.

CO(2) sensing is of great societal implications, as CO(2) is a component of gas mixtures from many natural and anthropogenic processes with huge impacts on globe climate and human well-being. Herein we report a CO(2) assay scheme over a wide concentration range, utilizing a fluorogen with an aggregation-induced emission feature and a liquid with tunable polarity and viscosity. The CO(2) sensing process is specific, quantitative, and interferent tolerant.