Thermal bridges in vacuum insulation panels at building scale

In this paper a numerical analysis aimed at evaluating the thermal performance of vacuum insulation panels (VIPs) at the building scale is presented. This technology has seen considerable development over the past few years, gaining increasing penetration in the building insulation market. However, it is important to evaluate correctly the thermal bridging effect that occurs when the VIPs are coupled with joints at the building scale. To this purpose, the linear thermal transmittances of different VIP assemblies inserted in several wall configurations were assessed through a bidimensional numerical analysis. Moreover, to evaluate the influence of thermal bridges on the building energy need, quasi-steady-state simulations for a parametric building module were performed. A simple empirical model was finally built to estimate the linear thermal transmittance from basic input variables. The study demonstrates that thermal bridging effects that occur when VIPs are jointed are never negligible and they could have an important impact on the building heating energy need

Di-μ-chlorido-bis­{[2-(morpholinometh­yl)phenyl-κ2 C 1,N]palladium(II)}

The title compound, [Pd2(C11H14NO)2Cl2], has a dimeric structure with Cl atoms bridging the two Pd atoms, one half of the mol­ecule being generated by symmetry due to the crystallographic inversion centre located in the middle of the perfectly planar Pd2Cl2 ring. The five-membered ring adopts an envelope conformation, while the morpholino group has a chair conformation. The geometry around the metal centres is distorted square-planar, as a result of a strong intra­molecular N→Pd coordination trans to a Pd—Cl bond. In the crystal structure, the dimeric structure is strengthened by inter­molecular C—H⋯Cl hydrogen bonds. C—H⋯Cphen­yl inter­actions link the dimers into a columnar supra­molecular array along the a axis; the dimers are further connected by C—H⋯Ph inter­actions into a three-dimensional supra­molecular arrangement

Palladium(ii) complexes with chiral organoantimony(iii) ligands. Solution behaviour and solid state structures

The chiral compound (2-Me2NCH2C6H 4)PhSbCl (1) was obtained from (2-Me2NCH2C 6H4)Li and PhSbCl2 in 1:1 molar ratio, while (2-Me2NCH2C6H4)Mes2Sb (2) was prepared from (2-Me2NCH2C6H 4)SbCl2 and MesMgBr in 1:2 molar ratio. The compounds 1 and 2 were used to obtain the Pd(ii)/stibine complexes: [Me2NHCH 2C6H5]+[PdCl3SbCl(Ph) (C6H4CH2NMe2-2)-Sb]- (3) and [PdCl2SbMes2(C6H4CH 2NMe2-2)-N,Sb] (4). All the compounds were characterized by multinuclear NMR spectroscopy in solution, elemental analysis, mass spectrometry and single-crystal X-ray diffraction studies. In compounds 1-3 the coordination geometry around the antimony atom is pseudo-trigonal bipyramidal, while in compound 4 a tetrahedral geometry around the antimony atom is observed. Theoretical calculations at the DFT level on compounds 1-4 were used in order to gain insight into the nature of the coordinative bonds

Vacuum Insulation Panels: Thermal Bridging Effects and Energy Performance in Real Building Applications

Due to their very low thermal conductivity, Vacuum Insulation Panels (VIPs) have recently seen a fast development and an increasing penetration in building thermal insulation market. However, there is still a lack of knowledge about their performance when actually applied in buildings. In fact, the thermal bridging effects that occur in VIP junctions are not easily evaluable while produce a reduction of the global thermal performance. In this paper, the linear thermal transmittances related to VIP junctions considering different joint materials between VIPs panels and different wall configurations were assessed through a 2D numerical analysis. Finally, through a quasi-steady state simulation, a parametric building case study was analysed, with the aim to evaluate the influence of the thermal bridging effects on the overall building energy need. The results shows that the thermal bridging effect due to VIPs assemblies have not a negligible influence on the overall building energy performance

A unique case of polymorphism in polyiodide networks resulting from the reaction of the drug methimazole and I2

The oxidation of thioamide methimazole (C4H6N2S) with molecular diiodine in water afforded the ionic compound [2(C4H5N2S–SN2C4H6)]I3I5 (1) in 1-triclinic and 1-monoclinic polymorphs. The polymorphic nature of [C4H5N2S–SN2C4H6]2I3I5 has been highlighted by comparing the structure of the 1-triclinic form with that of the 1-monoclinic form reported in the literature. No significant geometric differences are observed for the cations in the two polymorphs. The polymorphism is essentially due to a different arrangement in the polyiodide network of the [I5]− and [I3]− components. The FT-Raman spectrum of 1-triclinic shows the characteristic bands in the range 200–50 cm−1 which are in good agreement with the structural features of the polyiodide network. The molecular electrostatic potential maps of the cation methimazole-disulfide [C4H5N2S–SN2C4H6]+ and the bis-cation methimazole-disulfide {[C4H5N2S–SN2C4H6]+}2 in 1-triclinic have been studied to clearly identify the electrostatic potential energy distributions over the cations, and the electron belt and σ-hole areas responsible for the directionality of the non-covalent interactions in the polyiodides. It is suggested that the cation methimazole-disulfide may be a reaction intermediate in the inhibition of thyroid hormones by methimazole

The Nature of the Chemical Bond in Linear Three-Body Systems: From I3− to Mixed Chalcogen/Halogen and Trichalcogen Moieties

The 3 centre-4 electrons (3c-4e) and the donor/acceptor or charge-transfer models for the description of the chemical bond in linear three-body systems, such as I3− and related electron-rich (22 shell electrons) systems, are comparatively discussed on the grounds of structural data from a search of the Cambridge Structural Database (CSD). Both models account for a total bond order of 1 in these systems, and while the former fits better symmetric systems, the latter describes better strongly asymmetric situations. The 3c-4e MO scheme shows that any linear system formed by three aligned closed-shell species (24 shell electrons overall) has reason to exist provided that two electrons are removed from it to afford a 22 shell electrons three-body system: all combinations of three closed-shell halides and/or chalcogenides are considered here. A survey of the literature shows that most of these three-body systems exist. With some exceptions, their structural features vary continuously from the symmetric situation showing two equal bonds to very asymmetric situations in which one bond approaches to the value corresponding to a single bond and the second one to the sum of the van der Waals radii of the involved atoms. This indicates that the potential energy surface of these three-body systems is fairly flat, and that the chemical surrounding of the chalcogen/halogen atoms can play an important role in freezing different structural situations; this is well documented for the I3− anion. The existence of correlations between the two bond distances and more importantly the linearity observed for all these systems, independently on the degree of their asymmetry, support the state of hypervalency of the central atom

Stabilization of caesium ions by simple organic molecules: crystal structures of Cs(OXL) (OXL = oxalurate anion), and CsOH/cyanuric acid co-crystal Cs3(CYH3)4(OH)3 (CYH3 = cyanuric acid)

The reaction in water between CsOH and parabanic acid (PBH2) leads to the formation of the caesium salt of the oxalurate anion Cs(OXL), while the reaction with cyanuric acid (CYH3) leads to the formation of the CsOH co-crystal of cyanuric acid Cs3(CYH3)4(OH)3. The X-ray crystal structures of these compounds show that both the organic moieties OXL and CYH3 form robust homomeric ribbons based on strong and articulated N–HO hydrogen bonds. The stabilization of the Cs+ ions can occur regardless of whether the ribbon of organic units is negatively charged or neutral. In Cs(OXL), each cation displays nine-fold coordination with Cs–O distances in the range of 2.975(3)–3.601(4) Å; in Cs3(CYH3)4(OH)3, two of the Cs+ cations (Cs1 and Cs2) display a nine-fold coordination with Cs–O distances in the range of 3.007(9)–3.823(13) Å and one (Cs3) is ten-fold coordinated with Cs–O distances in the range of 3.161(14)– 3.653(17) Å. The molecular electrostatic potential maps of OXL and di-OXL anions have been reported and discussed

Plasmochromic Modules for Smart Windows

Active glazing components, which can dynamically regulate incoming solar radiation, are particularly interesting, as they simultaneously impact multiple aspects, such as thermal and visual comfort and overall energy consumption. Near-infrared EC windows (also referred to as “plasmochromic”) enable selective spectral control of the incoming solar radiation and efficiently respond to ever-changing lighting, heating and cooling requirements. They allow to selectively filter a large amount of near-infrared solar radiation passing through the window, thus blocking solar heat gain during hot summer days and letting it permeate over sunny winter days whilst independently regulating the amount of daylight. This article delves into the core attributes of such glazing systems, showcasing recent advancements in their design and fabrication. By evaluating key metrics like luminous transmittance (TLUM), solar transmittance (TSOL), and total solar heat gain coefficient (g-value), the paper presents a preliminary performance assessment of smart glazing employing this technology. Furthermore, the authors prospect the importance of implementing appropriate control strategies for these systems to fully exploit their potential in reducing energy consumption while maximising comfort

Radial interpolation of GPS and leveling data of ground deformation in a resurgent caldera: application to Campi Flegrei (Italy)

This study presents a new method, called the Radial Interpolation Method, to interpolate data characterized by an approximately radial pattern around a relatively constrained central zone, such as the ground deformation patterns shown in many active volcanic areas. The method enables the fast production of short-term deformation maps on the base of spatially sparse ground deformation measurements and can provide uncertainty quantification on the interpolated values, fundamental for hazard assessment purposes and deformation source reconstruction. The presented approach is not dependent on a priori assumptions about the geometry, location and physical properties of the source, except for the requirement of a locally radial pattern, i.e., allowing multiple centers of symmetry. We test the new method on a synthetic point source example, and then, we apply the method to selected time intervals of real geodetic data collected at the Campi Flegrei caldera during the last 39 years, including examples of leveling, Geodetic Precise Traversing measurements and Global Positioning System. The maps of horizontal displacement, calculated inland, show maximum values lying along a semicircular annular region with a radius of about 2–3 km in size. This semi-annular area is marked by mesoscale structures such as faults, sand dikes and fractures. The maps of vertical displacement describe a linear relation between the maximum vertical uplift measured and the volume variation. The multiplicative factor in the linear relation is about 0.3 × 106 m3/cm if we estimate the proportion of the ΔV that is captured by the GPS network onland and we use this to estimate the full ΔV. In this case, the 95% confidence interval on K because of linear regression is ± 5%. Finally, we briefly discuss how the new method could be used for the production of short-term vent opening maps on the base of real-time geodetic measurements of the horizontal and vertical displacements

reactivity of the drug methimazole and its iodine adduct with elemental zinc

The reactivity of zinc complexes with N,S-donor molecules may be of relevance to the study of Zn-metalloproteins and -metalloenzymes. In this context, the zinc complex [Zn(MeImSH)2I2] was synthesised by the reaction of zinc powder with the 1:1 iodine adduct of the drug methimazole [(MeImSH)·I2]. The molecular structure of the complex, elucidated by X-ray diffraction analysis, showed a tetrahedral zinc(II) centre coordinated by two neutral methimazole units (through the sulfur atoms) and two iodides. From the reaction of MeImSH and Zn powder, the complex [Zn(MeImSH)(MeImS)2] (MeImS = deprotonated form of methimazole) was separated and characterised. An analysis of the crystal packing of the neutral complexes [Zn(MeImSH)2X2] (X = I, Br and Cl) and the ionic complex [Zn(MeImSH)3I]I showed that in all of the complexes the sulfur atom, in addition to binding to the metal centre, contributes to the formation of 1-D chains built via C(4)–H⋯S and N–H⋯X interactions in the neutral complexes, and via C(4)–H⋯S and N–CH3⋯S interactions in the ionic complex [Zn(MeImSH)3I]I. The deprotonation/protonation of the coordinated methimazole units can modulate the coordination environment at the Zn core. From the reaction of complex [Zn(MeImSH)3I]I with a strong non-coordinating organic base, we have shown that, as a consequence of the NH deprotonation of methimazole S-coordinated to zinc(II), the ligand coordination mode changes from S-monodentate to N,S-bridging. Correspondingly, in the complex [Zn(MeImSH)(MeImS)2], the MeImS that displays the N,S-bridging mode at zinc can be N-protonated and thereby changes to the S-monodentate coordination