4-Phenyl-1H-imidazole-2(3H)-thione

In the asymmetric unit of the title compound, C9H8N2S, there are four symmetry-independent mol­ecules (Z′ = 4). The geometrical features of these mol­ecules are quite similar: in the normal probability plots the R 2 correlation factors for bond lengths and angles are generally around 0.95. The twist angles between the imidazole and phenyl rings (which are planar within 3σ) range from 9.0 (6) to 13.1 (5)°. In the crystal, pairs of independent molecules are joined by linear N—H⋯S and weak C—H⋯S hydrogen bonds, forming infinite ribbons, of the type ∼ABABAB∼ and ∼CDCDCD∼, propagating along [110]. Second-order hydrogen-bonded R 2 2(8) rings are formed via inter­weaving infinite C 2 2(8) chains

Adsorption of arsenate on Fe-(hydr)oxide

Adsorption using metal oxide materials has been demonstrated to be an effective technique to remove hazardous materials from water, due to its easy operation, low cost, and high efficiency. The high number of oxyanions in aquatic ecosystems causes serious pollution problems. Removal of arsenate (H2AsO4 -), is one of the major concerns, since it is a highly toxic anion for life. Within the metal oxides, the iron oxide is considered as a suitable material for the elimination of oxyanions. The adsorption of H2AsO4 - on Fe-(hydr)oxide is through the formation of inner or outer sphere complexes. In this work, through computational methods, a complete characterization of the adsorbed surface complexes was performed. Three different pH conditions were simulated (acidic, intermediate and basic), and it was found that, the thermodynamic favourability of the different adsorbed complexes was directly related to the pH. Monodentate complex (MM1) was the most thermodynamically favourable complex with an adsorption energy of -96.0kJ/mol under intermediate pH conditions. © Published under licence by IOP Publishing Ltd

Evaporation kinetics of Mg2SiO4 crystals and melts from molecular dynamics simulations

Computer simulations based on the molecular dynamics (MD) technique were used to study the mechanisms and kinetics of free evaporation from crystalline and molten forsterite (i.e., Mg2SiO4) on an atomic level. The interatomic potential employed for these simulations reproduces the energetics of bonding in forsterite and in gas-phase MgO and SiO2 reasonably accurately. Results of the simulation include predicted evaporation rates, diffusion rates, and reaction mechanisms for Mg2SiO4(s or l) yields 2Mg(g) + 20(g) + SiO2(g)

Free, Quick & Easy: Utilizing Google Apps to Assess & Communicate Learning

The Reese Library team utilizes a range of Google’s free applications (apps) to create, evaluate, and share assessment results of library instruction to faculty and students. The apps have also been utilized for team project work. Reception from faculty has consistently been positive, due to the ease of collaboration in developing assessment and sharing results so they can see at a glance the learning that has taken place in sessions. Attendees will gain a comprehensive overview of the workflow undertaken of the creation, delivery, analysis, and dissemination of assessment and results, with time for hands-on practice. Finally, strategies will be shared for utilizing Google apps for a range of project collaborations. Apps make it efficient and effective for project work across departments and campus libraries. In this workshop, attendees will learn methods for utilizing Google’s apps for assessment and beyond: Introduction (5 mins): Are Google apps useful for your context? Benefits and limitations. Part 1: Google Forms (30 mins): How to create an assessment for one-shot or ongoing library instruction. Create a sample assignment inspired by the ACRL Framework that meets the multifaceted needs of your library instruction session. Part 2: Google Sheets (15mins): How to export results into a Sheet. How to de-identify students; analyze, share and distribute results with others, such as professors and colleagues. Best practices for sharing feedback. Part 3: Project Collaboration (10 mins) Learn how Forms, Sheets, and Docs are useful for cross-departmental collaboration. Conclusion (10 mins): Q & A and/or final tips