Automated mixed dimensional modelling from 2D and 3D CAD models

The motivation for this paper is to present procedures for automatically creating idealised finite element models from the 3D CAD solid geometry of a component. The procedures produce an accurate and efficient analysis model with little effort on the part of the user. The technique is applicable to thin walled components with local complex features and automatically creates analysis models where 3D elements representing the complex regions in the component are embedded in an efficient shell mesh representing the mid-faces of the thin sheet regions. As the resulting models contain elements of more than one dimension, they are referred to as mixed dimensional models. Although these models are computationally more expensive than some of the idealisation techniques currently employed in industry, they do allow the structural behaviour of the model to be analysed more accurately, which is essential if appropriate design decisions are to be made. Also, using these procedures, analysis models can be created automatically whereas the current idealisation techniques are mostly manual, have long preparation times, and are based on engineering judgement. In the paper the idealisation approach is first applied to 2D models that are used to approximate axisymmetric components for analysis. For these models 2D elements representing the complex regions are embedded in a 1D mesh representing the midline of the cross section of the thin sheet regions. Also discussed is the coupling, which is necessary to link the elements of different dimensionality together. Analysis results from a 3D mixed dimensional model created using the techniques in this paper are compared to those from a stiffened shell model and a 3D solid model to demonstrate the improved accuracy of the new approach. At the end of the paper a quantitative analysis of the reduction in computational cost due to shell meshing thin sheet regions demonstrates that the reduction in degrees of freedom is proportional to the square of the aspect ratio of the region, and for long slender solids, the reduction can be proportional to the aspect ratio of the region if appropriate meshing algorithms are used.

Opportunity cost based analysis of corporate eco-efficiency: A methodology and its application to the CO2-efficiency of German companies

In this paper, we propose the return-to-cost-ratio (RCR) as an alternative approach to the analysis of operational eco-efficiency of companies based on the notion of opportunity costs. RCR helps to overcome two fundamental deficits of existing approaches to eco-efficiency. (1) It translates eco-efficiency into managerial terms by applying the well-established notion of opportunity costs to eco-efficiency analysis. (2) RCR allows to identify and quantify the drivers behind changes in corporate eco-efficiency. RCR is applied to the analysis of the CO2-efficiency of German companies in order to illustrate its usefulness for a detailed analysis of changes in corporate eco-efficiency as well as for the development of effective environmental strategies. (C) 2010 Elsevier Ltd. All rights reserved.

The interactions of coal with CO2 and its effects on coal structure

The interactions of coal with CO2 at pressures of up to 30 bar concerning mechanisms of diffusion, the strength of interactions, and the irreversibility of uptake for the permanent disposal of CO2 into coal fields have been studied. Differential scanning calorimetry was used to investigate coal/CO2 interactions for North Dakota, Wyodak, Illinois No. 6, and Pittsburgh No. 8 coals. It was found that the first interactions of CO2 with coals led to strongly bound carbon dioxide on coal. Energy values attributed to the irreversible storage capacity for CO2 on coals were determined. The lowest irreversible sorption energy was found for North Dakota coal (0.44 J/g), and the highest value was for the Illinois No. 6 coal (8.93 J/g). The effect of high-pressure CO2 on the macromolecular structure of coal was also studied by means of differential scanning calorimetry. It was found that the temperature of the second-order phase transition of Wyodak coal decreases with an increase in CO2 pressure significantly, indicating that high-pressure CO2 diffuses through the coal matrix, causes significant plasticization effects, and changes the macromolecular structure of the Wyodak coal. Desorption characteristics of CO2 from the Pittsburgh No. 8 coal were studied by temperature-programmed desorption mass spectrometry. It was found that CO2 desorption from the coal is an activated process and follows a first-order kinetic model. The activation energy for CO2 desorption from the Pittsburgh No. 8 coal increased with the preadsorbed CO2 pressure, indicating that CO2 binds more strongly and demands more energy to desorb from the Pittsburgh No. 8 coal at higher pressures.

Thermodynamical studies of irreversible sorption of CO2 by Wyodak coal

Differential scanning calorimetry (DSC), temperature programmed desorption mass spectrometry (TPD-MS) and small angle neutron scattering (SANS) were used to investigate CO2 uptake by the Wyodak coal. The adsorption of carbon dioxide on Wyodak coal was studied by DSC. The exotherms evident at low temperatures are associated with the uptake of CO2 suggesting that carbon dioxide interacts strongly with the coal surface. The reduction in the value of the exotherms between the first and second runs for the Wyodak coal suggests that some CO2 is irreversibly bound to the structure even after heating to 200 °C DSC results also showed that adsorption of CO2 on the coal surface is an activated process and presumably at the temperature of the exotherms there is enough thermal energy to overcome the activation energy for adsorption. The adsorption process is instantly pursued by much slower diffusion of the gas molecules into the coal matrix (absorption). Structural rearrangement in coal by CO2 is examined by change in the glass transition temperature of coal after CO2 uptake at different pressures. The amount of gas dissolved in the coal increases with increasing CO2 pressure. TPD-MS showed that CO2 desorption from the Wyodak coal follows a first order kinetic model. Increase in the activation energy for desorption with pre-adsorbed CO2 pressure suggests that higher pressures facilitate the transport of CO2 molecules through the barriers therefore the amount of CO2 uptake by the coal is greater at higher pressures and more attempts are required to desorb CO2 molecules sorbed at elevated pressures. These conclusions were further confirmed by examining the Wyodak coal structure in high pressure CO 2 by SANS.

Study of structural change in Wyodak coal in high pressure CO2 by small-angle neutron scattering

Small angle neutron scattering (SANS) has been applied to examine the effect of high pressure CO2 on the structure of Wyodak coal. Significant decrease in the scattering intensities upon exposure of the coal to high pressure CO2 showed that high pressure CO2 rapidly adsorbs on the coal and reaches to all pores in the structure. This is confirmed by strong and steep exothermic peaks observed on DSC scans during coal/ CO2 interactions. In situ small angle neutron scattering on coal at high pressure CO2 atmosphere showed an increase in scattering intensities with time suggesting that after adsorption, high pressure CO2 immediately begins to diffuse into the coal matrix, changes the macromolecular structure of the coal, swells the matrix and probably creates microporosity in coal structure by extraction of volatile components from coal. Significant decrease in the glass transition temperature of coal caused by high pressure CO2 also confirms that CO2 at elevated pressures dissolve in the coal matrix, results in significant plasticization and physical rearrangement of the coal’s macromolecular structure.

Time-resolved resonance Raman scattering of triplet state anthracene in supercritical CO2

The first report of time-resolved resonance Raman (TR(3)) scattering in a supercritical fluid is presented. TR(3) spectra of the lowest triplet excited state (T-1) of anthracene in supercritical (SC) CO2 have been obtained over the pressure range 90-500 bar. These data have been complemented by conventional flash photolysis measurements of the excited state lifetime, transient absorbance difference, and fluorescence spectra over a similar pressure range. The spectroscopic data show systematic changes with increasing pressure; the Delta A spectra of the TI state recorded at two different temperatures display a red shift with increasing fluid pressure, which is in agreement with earlier work carried out over a smaller range of pressures. Similar shifts in the fluorescence are also observed. The vibrational frequencies of the T-1 state of anthracene are found to be relatively insensitive to applied pressure; indeed, the transient bands are readily identified by comparison with resonance Raman (RR) spectra of the T-1 state in cyclohexane solution. Small but well-defined shifts to lower cm(-1) with increasing pressure are observed in some of the vibrational bands of SC COE. The most marked change in the excited state Raman spectra is that the intensity of the T-1 anthracene features, relative to those of CO2, increases with applied pressure. The information which each of the above spectroscopic methods gives on the question of how pressure changes affect the structure and local environment of the excited state probe molecule in the SCF is discussed. Possible explanations for the observed increase in RR band intensities in terms of increased resonance Raman enhancement arising from the spectral shifts and/or the increased solubility of anthracene in CO2 with increasing pressure are also considered.

A search for interstellar gas-phase CO2 gas: Solid state abundance ratios

We present searches for gas-phase CO2 features in the ISO-SWS infrared spectra of four deeply embedded massive young stars, which all show strong solid CO2 absorption. The abundance of gas-phase CO2 is at most 2. 10(-7) with respect to H-2, and is less than 5% of that in the solid phase. This is in strong contrast to CO, which is a factor of 10-100 more abundant in the gas than in solid form in these objects. The gas/solid state ratios of CO2, CO and H2O are discussed in terms of the physical and chemical state of the clouds.

Determining the parametric effectiveness of a CAD model

The motivation for this paper is to present an approach for rating the quality of the parameters in a computer-aided design model for use as optimization variables. Parametric Effectiveness is computed as the ratio of change in performance achieved by perturbing the parameters in the optimum way, to the change in performance that would be achieved by allowing the boundary of the model to move without the constraint on shape change enforced by the CAD parameterization. The approach is applied in this paper to optimization based on adjoint shape sensitivity analyses. The derivation of parametric effectiveness is presented for optimization both with and without the constraint of constant volume. In both cases, the movement of the boundary is normalized with respect to a small root mean squared movement of the boundary. The approach can be used to select an initial search direction in parameter space, or to select sets of model parameters which have the greatest ability to improve model performance. The approach is applied to a number of example 2D and 3D FEA and CFD problems.

Strategies for adding features to CAD models in order to optimize performance

This paper presents an approach which enables new parameters to be added to a CAD model for optimization purposes. It aims to remove a common roadblock to CAD based optimization, where the parameterization of the model does not offer the shape sufficient flexibility for a truly optimized shape to be created. A technique has been developed which uses adjoint based sensitivity maps to predict
the sensitivity of performance to the addition to a model of four different feature types, allowing the feature providing the greatest benefit to be selected. The optimum position to add the feature is also discussed. It is anticipated that the approach could be used to iteratively add features to a model, providing greater flexibility to the shape of the model, and allowing the newly-added parameters to be used as design variables in a subsequent shape optimization.

Intelligent pigments and plastics for CO2 detection

A novel CO2 intelligent pigment is incorporated into a thermoplastic polymer to create a long-lived CO2-sensitive plastic film which is characterised and then compared to a traditional solvent-based CO2 indicator film.

Effect of plasticizer-polymer compatibility on the response characteristics of optical thin CO2 and O-2 sensing films

A homologous family of dialkyl phthalates has been used to investigate the effect of plasticizer/polymer compatibility on the response characteristics of transparent, plastic, thin optical gas sensing films for CO2 and oxygen. Plasticizer/polymer compatibilities were determined through the value of the difference in solubility parameter, i.e. Delta delta, for the plasticizer and polymer with a Delta delta value of zero indicating high compatibility. A strong correlation was found between plasticizer/polymer compatibility and sensitivity in phenol red/ethyl cellulose CO2-sensitive films and this relationship extended to CO2-sensitive films based on other polymers such as polystyrene and poly(methyl methacrylate). It extended also to optical O-2-sensitive films implying that the relationship is general for thin-film optical sensors. Other results from the CO2-sensitive films in different polymers indicated that the film sensitivity is largely independent of the polymer matrix regardless of its inherent gas permeability, when a sufficient quantity of compatible plasticizer is present. (C) 1998 Elsevier Science B.V.