Hydrocarbon Extraction with Ionic Liquids.

Separation and reaction processes are key components employed in the modern chemical industry, and the former accounts for the majority of the energy consumption therein. In particular, hydrocarbon separation and purification processes, such as aromatics extraction, desulfurization, and denitrification, are challenging in petroleum refinement, an industrial cornerstone that provides raw materials for products used in human activities. The major technical shortcomings in solvent extraction are volatile solvent loss, product entrainment leading to secondary pollution, low separation efficiency, and high regeneration energy consumption due to the use of traditional organic solvents with high boiling points as extraction agents.

Environmental Sustainability of π-Electron Donor-Based Deep Eutectic Solvents for Toluene Absorption: A Life-Cycle Perspective.

The novel π-electron donor-based deep eutectic solvents (DESs) have been shown to be a promising type of absorbent with excellent performance on toluene absorption. However, their greenness or sustainability is still unclear. Thus, to bridge the gap and give a comprehensive evaluation for their industrialization potential, the life cycle assessment (LCA) was used to evaluate the potential environmental impacts incurred from their production and usage for absorbing toluene.

Mechanistic insight into the effect of active site motif structures on direct oxidation of methane to methanol over Cu-ZSM-5.

Direct oxidation of methane to methanol (DMTM), a highly challenging reaction in C chemistry, has attracted lots of attention. Herein, we investigate the continuous HO-mediated NO-DMTM over a series of Cu-ZSM-5- zeolites prepared by a solid-state ion-exchange method. Excellent CHOH productivity (194.

Influences and mechanisms of pyrolytic conditions on recycling BTX products from passenger car waste tires.

Pyrolysis is an effective method for waste tire disposal. However, it has rarely been used to recycle specific highly valuable components (such as benzene, toluene, and xylene (BTX)) from tire rubbers, owing to complicated pyrolytic reactions. This study investigated the pyrolysis process of passenger-car-waste-tires (PCWT) with the help of TG-DTG and Py-GC/MS.

Mesoscale study of crystal-plane effects of Ni catalysts on CO hydrogenation.

Crystal-plane effects have pivotal roles in the design of catalysts. In this study, a branched Ni (Ni-BN) catalyst was mainly exposed at the Ni(322) surface and was synthesized in the presence of H. A Ni nanoparticle (Ni-NP) catalyst was mainly exposed at Ni(111) and Ni(100) surfaces and was synthesized without H.

Collaborative Purification of Tert-Butanol and NO over Fe/Co-Zeolite Catalysts.

NO is a greenhouse gas and a candidate oxidant. Volatile organic pollutants (VOCs) have caused great harm to the atmospheric ecological environment. Developing the technique utilizing NO as the oxidant to oxidize VOCs to realize the collaborative purification has significant importance and practical value for NO emission control and VOC abatement.

Effective absorption of dichloromethane using deep eutectic solvents.

Chlorinated volatile organic compounds (VOCs), of which dichloromethane (DCM) has become one of the main components because of its extensive use and strong volatility, are recognized as extremely hazardous and refractory pollutants in the atmosphere. The efficient treatment of DCM is of great significance to the protection of environment and human health. In this work, the strategy of DCM capture with deep eutectic solvents (DESs) with different hydrogen bond acceptors (HBAs) and hydrogen bond donors (HBDs) was proposed and systematically investigated.

Study of passenger-car-waste-tire pyrolysis: Behavior and mechanism under kinetical regime.

The pyrolysis of passenger-car-waste-tires (PCWT) has recently attracted widespread attention because it is a highly effective disposal method. However, a comprehensive understanding of real tire pyrolytic processes is limited owing to the complicated PCWT pyrolysis reaction system, particularly regarding the reaction mechanism. This study investigated the PCWT pyrolytic processes using a thermogravimetric analyzer coupled with mass spectrometry and analyzed all the pyrolytic products using pyrolysis-gas chromatography coupled with mass spectrometry.

H O-Built Proton Transfer Bridge Enhances Continuous Methane Oxidation to Methanol over Cu-BEA Zeolite.

Direct oxidation of methane to methanol (DMTM) is a big challenge in C chemistry. We present a continuous N O-DMTM investigation by simultaneously introducing 10 vol % H O into the reaction system over Cu-BEA zeolites. Combining a D O isotopic tracer technique and ab initio molecular dynamics (AIMD) simulation, we for the first time demonstrate that the H O molecules can participate in the reaction through a proton transfer route, wherein the H O molecules can build a high-speed proton transfer bridge between the generated moieties of CH and OH over the evolved mono(μ-oxo) dicopper ([Cu-O-Cu] ) active site, thereby pronouncedly boosting the CH OH selectivity (3.

Mechanistic insight into H-mediated Ni surface diffusion and deposition to form branched Ni nanocrystals: a theoretical study.

Present work systematically investigates the kinetic role played by H2 molecules during Ni surface diffusion and deposition to generate branched Ni nanostructures by employing Density Functional Theory (DFT) calculations and ab initio molecule dynamic (AIMD) simulations, respectively. The Ni surface diffusion results unravel that in comparison to the scenarios of Ni(110) and Ni(100), both the subsurface and surface H hinder the Ni surface diffusion over Ni(111) especially under the surface H coverage of 1.5 ML displaying the lowest Ds values, which greatly favors the trapping of the adatom Ni and subsequent overgrowth along the 111 direction.

Highly efficient capture of odorous sulfur-based VOCs by ionic liquids.

This study proposes the capture of dimethyl sulfide (DMS) and dimethyl disulfide (DMDS) from waste gas using an ionic liquid (IL), namely, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][TfN]), and examines the process from a molecular level to the laboratory scale, which is then scaled up to the industrial level. The binding energy and weak interactions between DMS/DMDS and the anion/cation in [EMIM][TfN] were investigated using quantum chemistry calculations to identify the capture mechanism at the molecular scale. A thermodynamic model (UNIFAC-Lei) was established by the vapor-liquid equilibrium data of the [EMIM][TfN] + DMS/DMDS systems measured at the laboratory scale.

Ionic Liquids in Selective Oxidation: Catalysts and Solvents.

Selective oxidation has an important role in environmental and green chemistry (e.g., oxidative desulfurization of fuels and oxidative removal of mercury) as well as chemicals and intermediates chemistry to obtain high-value-added special products (e.