Strength and barrier properties of MFC films

The preparation of microfibrillar cellulose (MFC) films by filtration on a polyamide filter cloth, in a dynamic sheet former and as a surface layer on base paper is described. Experimental evidence of the high tensile strength, density and elongation of films formed by MFC is given. Typically, a MFC film with basis weight 35 g/m² had tensile index 146 ± 18 Nm/g and elongation 8.6 ± 1.6%. The E modulus (17.5 ± 1.0 GPa) of a film composed of randomly oriented fibrils was comparable to values for cellulose fibres with a fibril angle of 50°. The strength of the films formed in the dynamic sheet former was comparable to the strength of the MFC films prepared by filtration. The use of MFC as surface layer (0–8% of total basis weight) on base paper increased the strength of the paper sheets significantly and reduced their air permeability dramatically. FEG-SEM images indicated that the MFC layer reduced sheet porosity, i.e. the dense structure formed by the fibrils resulted in superior barrier properties. Oxygen transmission rates (OTR) as low as 17 ml m⁻² day⁻¹ were obtained for films prepared from pure MFC. This result fulfils the requirements for oxygen transmission rate in modified atmosphere packaging.     

Systematic study of the physicochemical properties of a homologous series of aminobisphosphonates

Aminobisphosphonates, e.g., alendronate and neridronate, are a well known class of molecules used as drugs for various bone diseases. Although these molecules have been available for decades, a detailed understanding of their most important physicochemical properties under comparable conditions is lacking. In this study, ten aminobisphosphonates, H₂N(CH₂)_nC(OH)[P(O)(OH)₂]₂, in which n = 2-5, 7-11 and 15 have been synthesized. Their aqueous solubility as a function of temperature and pH, pK_a-values, thermal stability, IR absorptions, and NMR spectral data for bothliquid (¹H, ¹³C, ³¹P-NMR) and solid state (¹³C, ¹⁵N and ³¹P-CPMAS NMR) were determined.     

Electrical conductivity and defect structure of Mg-doped Cr2O3

The electrical conductivity of Cr₂O₃ nominally doped with 2 mol% MgO has been studied by the four point a.c. technique as a function of the oxygen activity (O₂ + Ar, CO + CO₂ and H₂ + H₂O) in the temperature range 400–1200 °C. It is concluded that Cr₂O₃ doped with MgO is an extrinsic conductor and that the dissolved Mg-dopant is compensated by the formation of electron holes at near atmospheric oxygen pressures and by oxygen vacancies (or possibly interstitial chromium ions) at highly reduced oxygen activities (in CO + CO₂ and H₂ + H₂O gas mixtures). In H₂ + H₂O mixtures Mg-doped chromia also dissolves hydrogen as protons and significantly affects the defect structure and electrical conductivity. The defect structure of the oxide under various conditions is discussed.     

Laser-ablation-induced refractive index fields studied using pulsed digital holographic interferometry

Pulsed digital holographic interferometry has been used to investigate the plume and the shock wave generated in the ablation process of a Q-switched Nd-YAG (λ=1064 nm and pulse duration=12 ns) laser pulse on a polycrystalline boron nitride (PCBN) target under atmospheric air pressure. A special setup based on two synchronised wavelengths from the same laser for simultaneous processing and measurement has been used. Digital holograms were recorded for different time delays using collimated laser light (λ=532 nm) passed through the volume along the target. Numerical data of the integrated refractive index field were calculated and presented as phase maps showing the propagation of the shock wave and the plume generated by the process. Radon inversion has been used to estimate the 3D refractive index fields measured from the projections assuming rotational symmetry. The shock wave density has been calculated using the point explosion model and the shock wave condition equation and its behaviour with time at different power densities ranging from 1.4 to 9.1 GW/cm² is presented. Shock front densities have been calculated from the reconstructed refractive index fields using the Gladstone–Dale equation. A comparison of the shock front density calculated from the reconstructed data and that calculated using the point explosion model at different time delays has been done. The comparison shows quite good agreement between the model and the experimental data. Finally the reconstructed refractive index field has been used to estimate the electron number density distribution within the laser-induced plasma. The electron number density behaviour with distance from the target at different power densities and its behaviour with time are shown. The electron number densities are found to be in the order of 10¹⁸ cm^?3 and decay at a rate of 3×10¹⁵ electrons/cm³ ns.     

Rotational image deblurring with sparse matrices

We describe iterative deblurring algorithms that can handle blur caused by a rotation along an arbitrary axis (including the common case of pure rotation). Our algorithms use a sparse-matrix representation of the blurring operation, which allows us to easily handle several different boundary conditions. We also include robust stopping rules for the iterations. The performance of our algorithms is illustrated with examples.     

Regularization Tools version 4.0 for Matlab 7.3

This communication describes version 4.0 of Regularization Tools, a Matlab package for analysis and solution of discrete ill-posed problems. The new version allows for under-determined problems, and it is expanded with several new iterative methods, as well as new test problems and new parameter-choice methods.      

Dustiness behaviour of loose and compacted Bentonite and organoclay powders: What is the difference in exposure risk?

Single-drop and rotating drum dustiness testing was used to investigate the dustiness of loose and compacted montmorillonite (Bentonite) and an organoclay (Nanofil^®5), which had been modified from montmorillonite-rich Bentonite. The dustiness was analysed based on filter measurements as well as particle size distributions, the particle generation rate, and the total number of generated particles. Particle monitoring was completed using a TSI Fast Mobility Particle Sizer (FMPS) and a TSI Aerosol Particle Sizer (APS) at 1 s resolution. Low-pressure uniaxial powder compaction of the starting materials showed a logarithmic compaction curve and samples subjected to 3.5 kg/cm² were used for dustiness testing to evaluate the role of powder compaction, which could occur in powders from large shipments or high-volume storage facilities. The dustiness tests showed intermediate dustiness indices (1,077–2,077 mg/kg powder) in tests of Nanofil^®5, Bentonite, and compacted Bentonite, while a high-level dustiness index was found for compacted Nanofil^®5 (3,487 mg/kg powder). All powders produced multimodal particle size-distributions in the dust cloud with one mode around 300 nm (Bentonite) or 400 nm (Nanofil^®5) as well as one (Nanofil^®5) or two modes (Bentonite) with peaks between 1 and 2.5 μm. The dust release was found to occur either as a burst (loose Bentonite and Nanofil^®5), constant rate (compacted Nanofil^®5), or slowly increasing rate (compacted Bentonite). In rotating drum experiments, the number of particles generated in the FMPS and APS size-ranges were in general agreement with the mass-based dustiness index, but the same order was not observed in the single-drop tests. Compaction of Bentonite reduced the number of generated particles with app. 70 and 40% during single-drop and rotating drum dustiness tests, respectively. Compaction of Nanofil^®5 reduced the dustiness in the single-drop test, but it was more than doubled in the rotating drum test. Physically relevant low-pressure compaction may reduce the risk of particle exposure if powders are handled in operations with few agitations such as pouring or tapping. Repeated agitation, e.g., mixing, of these compacted powders, would result in reduced (app. 20% for Bentonite) or highly increased (app. 225% for Nanofil^®5) dustiness and thereby alter the exposure risk significantly.     

A theoretical study of BrCN in the Π electronic ground state: Large amplitude bending motion

We have calculated the three-dimensional potential energy surfaces for the 1 ²A′ and 1 ²A″ states of BrCN⁺ at the MR-SDCI_DK+Q/[QZP-ANO-RCC (Br, C, N)] level of theory, where MR-SDCI_DK means ‘multi-reference single and double excitation configuration interaction calculation with Douglas-Kroll Hamiltonian.’ These ab initio potential energy surfaces have a common minimum (corresponding to the state) at a linear equilibrium structure with r_e(Br-C) = 1.735 Å and r_e(C-N) = 1.199 Å. Variational RENNER calculations yield a zero-point averaged structure (with the structural parameters calculated as expectation values over rovibrational wavefunctions) with 〈r(Br-C)〉₀ = 1.739 Å, 〈r(C-N)〉₀ = 1.204 Å, and 〈∠(Br-C-N)〉₀ = 172(4)°. A severe Fermi resonance between 2ν₂ and ν₃ has been found theoretically for the ²A″ potential energy surface. Comparing the ab initio zero-point averaged structure with a recent, experimentally derived r₀ structure, it is concluded that the effects of large-amplitude bending motion should be taken into account explicitly in the process of deriving the r₀ structure from the experimental values of the rotational constants. The electronic structure of BrCN⁺ has also been discussed.     

AB initio SCF study of the electronic structure and spectrum of CuF2

MC SCF and contracted CI calculations have been performed for the three ligand-field states of CuF₂ and also for two charge-transfer states. With the most extensive basis set the calculated d-d transition energies, including a Davidson correctior for cluster effects, are 4150 cm^?1 (²11g) and 10560 cm^?1 (²Δg). These calculations were made with 98 basis functions, including of orbitals on Cu and d orbitals on F. To check the charge distribution in the molecule, calculations of the ESR g factors were also made at the SCF and CI levels of approximation. Resulting CI values are g_| = 1.93 (1.91) and g₁ = 2.76 (2.60). with corresponding experimental numbers in parentheses.     

Engleromycin,a new cytochalasan from Engleromycesgoetzei Hennings

The structure of engleromycin isolated from $\text{Engleromyces}$$\text{goetzei}$ Hennings has been established as $\text{1}$ by spectral techniques.