Instituto Superior Técnico

About: Instituto Superior Técnico is a based out in . It is known for research contribution in the topics: Catalysis & Finite element method. The organization has 10085 authors who have published 30226 publications receiving 667524 citations. The organization is also known as: IST & Instituto Superior Tecnico.

Physics at a future Neutrino Factory and super-beam facility

Abstract: The conclusions of the Physics Working Group of the International Scoping Study of a future Neutrino Factory and super-beam facility (the ISS) are presented. The ISS was carried out by the international community between NuFact05, (the 7th International Workshop on Neutrino Factories and Super-beams, Laboratori Nazionali di Frascati, Rome, 21–26 June 2005) and NuFact06 (Ivine, CA, 24–30 August 2006). The physics case for an extensive experimental programme to understand the properties of the neutrino is presented and the role of high-precision measurements of neutrino oscillations within this programme is discussed in detail. The performance of second-generation super-beam experiments, beta-beam facilities and the Neutrino Factory are evaluated and a quantitative comparison of the discovery potential of the three classes of facility is presented. High-precision studies of the properties of the muon are complementary to the study of neutrino oscillations. The Neutrino Factory has the potential to provide extremely intense muon beams and the physics potential of such beams is discussed in the final section of the report.

CL&P: A generic and systematic force field for ionic liquids modeling

Abstract: In this account, we review the process that led to the development of one of the most widely used force fields in the area of ionic liquids modeling, analyze its subsequent expansions and alternative models, and consider future routes of improvement to overcome present limitations. This includes the description and discussion of (1) the rationale behind the generic and systematic character of the Canongia Lopes & Padua (CLP (2) the families of ionic liquids that have been (and continue to be) parameterized over the years and those that are the most challenging both in theoretical and applied terms; (3) the steps that lead to a correct parameterization of each type of ion and its homologous family, with special emphasis on the correct modeling of their flexibility and charge distribution; (4) the validation processes of the CLP and finally (5) the compromises that have to be attained when choosing between generic or specific force fields, coarse-grain or atomistic models, and polarizable or non-polarizable methods. The application of the CL&P and other force fields to the study of ionic liquids using quantum- and statistical-mechanics methods has led to the discovery and analysis of the unique nature of their liquid phases, that is, the notion that ionic liquids are nano-segregated fluids with structural and dynamic heterogeneities at the nanoscopic scale. This successful contribution of theoretical chemistry to the field of ionic liquids will also serve as a guide throughout the ensuing discussion.

Multifunctional Ln-MOF Luminescent Probe for Efficient Sensing of Fe3+, Ce3+, and Acetone.

Abstract: A new series of five three-dimensional Ln(III) metal-organic frameworks (MOFs) formulated as [Ln4(μ6-L)2(μ-HCOO)(μ3-OH)3(μ3-O)(DMF)2(H2O)4] n {Ln3+ = Tb3+ (1), Eu3+ (2), Gd3+ (3), Dy3+ (4), and Er3+ (5)} was successfully obtained via a solvothermal reaction between the corresponding lanthanide(III) nitrates and 2-(6-carboxypyridin-3-yl)terephthalic acid (H3L). All of the obtained compounds were fully characterized, and their structures were established by single-crystal X-ray diffraction. All products are isostructural and possess porous 3D networks of the fluorite topological type, which are driven by the cubane-like [Ln4(μ3-OH)3(μ3-O)(μ-HCOO)]6+ blocks and μ6-L3- spacers. Luminescent and sensing properties of 1-5 were investigated in detail, revealing a unique capability of Tb-MOF (1) for sensing acetone and metal(III) cations (Fe3+ or Ce3+) with high efficiency and selectivity. Apart from a facile recyclability after sensing experiments, the obtained Tb-MOF material features a remarkable stability in a diversity of environments such as common solvents, aqueous solutions of metal ions, and solutions with a broad pH range from 4 to 11. In addition, compound 1 represents a very rare example of the versatile Ln-MOF probe capable of sensing Ce3+ or Fe3+ cations or acetone molecules.