Mesoscale simulation of block copolymers in aqueous solution: parameterisation, micelle growth kinetics and the effect of temperature and concentration morphology

In this work, we utilise ‘MesoDyn’ [J Chem Phys 99 (1993) 9202; 106 (1997) 4260] density functional simulations to study the effect of temperature and concentration on the micellar morphology of polymeric surfactants. Parameterisation strategies based upon atomistic models and experimental data are discussed. Taking the temperature dependence of interaction energy into account, the change in morphology of Pluronic (PEO-PPO-PEO) block copolymer structure with temperature is well reproduced. As a function of concentration, the diameter of spherical micelles is found to increase in line with previous cryo-TEM observations [Phys Chem Chem Phys 1 (1999) 3331]. Simulations of high concentration PEO-PBO diblock systems show ordering similar to the face-centered cubic structures found experimentally [J Polym Sci B 33 (1995) 1085; Macromolecules 30 (1997) 5721; Polymer 39 (1998) 4891; Phys Chem Chem Phys 1 (1999) 2773].     

(BETS)2[RuX5NO] (X = Cl, Br): An Explanation of Different Conductive Properties Through Structural and Spectroscopic Studies

For the development of new crystal and electronic structures in molecular conductors, dimeric tetrathiafulvalene (TTF) and tetraselenafulvalenes (TSFs)1–3 linked by single or double methyl antimony bridge(s) have been prepared and their neutral crystal structures have been investigated. The donor2 (cis-2) forms a metallic cation radical salt with tetracyanoquinodimethane (TCNQ) containing one-dimensional array interactions.     

An analysis of lighting energy savings and switching frequency for a daylit corridor under various indoor design illuminance levels

Visual comfort and electric lighting energy issues are essential criteria to justify daylighting schemes. The evaluation of energy efficiency due to daylight linked lighting control systems is best demonstrated by case studies. This paper presents field measurements on daylighting for a fully air-conditioned daylit corridor. Artificial lighting load, brightness of the fluorescent luminaires, daylight availability for various switching illuminance levels were systematically recorded and analyzed. The general features and characteristics of the findings including the number of switching operations and electric-lighting energy savings are presented and discussed. Daylighting theories, using cumulative frequency distribution of outdoor illuminance and regression models based on brightness of light output, outdoor illuminance and electric light power to estimate daylight-linked lighting control savings, have been developed and assessed. It has been found that data from both approaches show reasonably good agreements with measured results. The findings from this study provide some operational and energy information, which would be useful and applicable to other interior spaces with similar architectural designs.     

Prolonged systemic and regional haemodynamic effects of intracerebroventricular angiotensin II in conscious sheep

1. The haemodynamic mechanisms by which infusion of angiotensin II (AngII), either into the lateral cerebral ventricles (i.c.v.) or intravenously (i.v.), increased arterial pressure were studied in conscious sheep. 2. Sheep were previously fitted with flow probes for measurement of cardiac output and coronary, mesenteric, renal and iliac blood flows. 3. Intracerebroventricular AngII (10 nmol/h for 1 h) increased arterial pressure by 11 +/- 4 mmHg (P < 0.001) due to vasoconstriction, predominantly in the mesentric vasculature. These effects developed over 30 min and took 2 h to return to control. Following the infusion renal conductance increased continuously for 3 h, resulting in a parallel increase in renal blood flow (to 75 +/- 18 mL/min above control, P < 0.001). 4. Intracerebroventricular AngII increased plasma vasopressin from 0.8 +/- 0.3 to 7.2 +/- 1.8 pg/mL (P, 0.01), and reduced plasma renin concentration from 0.9 +/- 0.3 to < 0.4 nmol/L/h. 5. The pressor effect of i.v. AngII (5, 10, 25, 50 nmol/h) also depended on peripheral vasoconstriction, but the pattern of responses was different. The greatest degree of vasoconstriction occurred in the renal, followed by the mesentric and iliac vascular beds; these effects were rapid in onset and offset. 6. In conclusion, the pressor responses to both i.c.v. and i.v. angiotensin depended on peripheral vasoconstriction, but there were contrasting regional haemodynamic changes. ICV AngII caused a prolonged pressor response, mainly due to mesentric vasoconstriction possibly partly due to vasopressin release, and following the infusion there was a pronounced, long-lasting renal vasodilatation. In contrast, i.v. AngII caused vasoconstriction preferentially in the renal vascular bed and its effects were short lasting.     

Scattering of waves by flaws in anisotropic laminated plates

The strip element method (SEM) is used to investigate wave scattering by rectangular flaws in anisotropic laminated plates. The plates containing flaws are divided by junctions into domains in which the SEM is applied. For each domain, SEM equations are obtained which give a relationship between the traction and displacement vector on the vertical boundaries. A set of equations which gives a relationship between the traction and displacement vector on the junctions is then obtained by assembling the SEM equations for all the domains. This set of equations is solved by using the conditions on the junctions. Scattered wave fields in the frequency domain for isotropic and composite plates with rectangular flaws are computed and discussed in comparison with results for corresponding plates without flaws. A technique for determining the length of a rectangular flaw in a plate is also presented. The results presented in this paper are of importance and could be used in the characterization of flaws in anisotropic laminated plates.     

Microstructure and mechanical properties relations for green bodies compacted from spray dried granules

Alumina granules from three binder systems were spray dried and pressed into bars at varied pressure. Granules are classified as strong, medium and weak as to reflect the different amount of poly(vinyl-butyral) binder and liquid paraffin plasticizer used in the binder system. Mechanical properties of the pressed bars were obtained from a four-point bend test and microstructures were examined using scanning electron microscopy SEM. Strengths and fracture toughnesses are found to increase as a function of compaction pressure, while the calculated effective flaw size is independent of the compaction pressure for all three granule types. Microstructural examination of fracture surfaces revealed that samples compacted at high pressure exhibited more transgranular fracture than samples compacted at low pressure. Evidently, higher pressure had increased the intergranular fracture resistance which correspondingly increased the fracture toughness of the pressed bars. For bars pressed from granules, green body strengths and toughnesses are strongly dependent on the cohesion between pressed granules and not on the effective processing flaw size.