Comparative adsorption of spherical argon and flexible n-butane in carbon slit pores - a GCMC computer simulation study

In this paper we investigate the difference between the adsorption of spherical molecule argon (at 87.3 K) and the flexible normal butane (at an equivalent temperature of 150 K) in carbon slit pores. These temperatures are equivalent in the sense that they have the same relative distances between their respective triple points and critical points. Higher equivalent temperatures are also studied (122.67 K for argon and 303 K for n-butane) to investigate the effects of temperature on the 2D-transition in adsorbed density. The Grand Canonical Monte Carlo simulation is used to study the adsorption of these two model adsorbates. Beside the longer computation times involved in the computation of n-butane adsorption, n-butane exhibits many interesting behaviors such as: (i) the onset of adsorption occurs sooner (in terms of relative pressure), (ii) the hysteresis for 2D- and 3D-transitions is larger, (iii) liquid-solid transition is not possible, (iv) 2D-transition occurs for n-butane at 150 K while it does not happen for argon except for pores that accommodate two layers of molecules, (v) the maximum pore density is about four times less than that of argon and (vi) the sieving pore width is slightly larger than that for argon. Finally another feature obtained from the Grand Canonical Monte Carlo (GCMC) simulation is the configurational arrangement of molecules in pores. For spherical argon, the arrangement is rather well structured, while for n-butane the arrangement depends very much on the pore size. (C) 2004 Elsevier B.V. All rights reserved.

A flexible and practical framework for reporting on ecologically sustainable development for wild capture fisheries

The principles of sustainable development (or ecologically sustainable development as it is known in Australia) are now accepted as the foundation for natural resource management worldwide and there are increasing community expectations that they will be implemented explicitly. Previous attempts to assess sustainable development for fisheries have mostly failed because the methods have been too restrictive, often attempting to develop a single set of indicators. In 2000, all the fishery agencies and major stakeholder groups in Australia supported the development of a National ESD Framework. This initiative resulted in a practical system being generated through the results of a series of case studies and stakeholder workshops. The Australian National ESD Framework divides ESD into eight major components within the three main categories of ecological well-being, human well-being and ability to contribute: Four main steps are used to complete an ESD report for a fishery: (1) identify relevant issues, (2) prioritise these using risk assessment, (3) complete appropriately detailed reports on each issue and (4) compile the material into a report. The tools to assist this process are now available and have been used to generate reports for many Australian fisheries. (C) 2004 Elsevier B.V. All rights reserved.

Specification and validation of process constraints for flexible workflows

Workflow systems have traditionally focused on the so-called production processes which are characterized by pre-definition, high volume, and repetitiveness. Recently, the deployment of workflow systems in non-traditional domains such as collaborative applications, e-learning and cross-organizational process integration, have put forth new requirements for flexible and dynamic specification. However, this flexibility cannot be offered at the expense of control, a critical requirement of business processes. In this paper, we will present a foundation set of constraints for flexible workflow specification. These constraints are intended to provide an appropriate balance between flexibility and control. The constraint specification framework is based on the concept of pockets of flexibility which allows ad hoc changes and/or building of workflows for highly flexible processes. Basically, our approach is to provide the ability to execute on the basis of a partially specified model, where the full specification of the model is made at runtime, and may be unique to each instance. The verification of dynamically built models is essential. Where as ensuring that the model conforms to specified constraints does not pose great difficulty, ensuring that the constraint set itself does not carry conflicts and redundancy is an interesting and challenging problem. In this paper, we will provide a discussion on both the static and dynamic verification aspects. We will also briefly present Chameleon, a prototype workflow engine that implements these concepts. (c) 2004 Elsevier Ltd. All rights reserved.

Capital market equilibrium with moral hazard and flexible technology

(Magill, M., Quinzii, M., 2002. Capital market equilibrium with moral hazard. Journal of Mathematical Economics 38, 149-190) showed that, in a stockmarket economy with private information, the moral hazard problem may be resolved provided that a spanning overlap condition is satisfed. This result depends on the assumption that the technology is given by a stochastic production function with a single scalar input. The object of the present paper is to extend the analysis of Magill and Quinzii to the case of multiple inputs. We show that their main result extends to this general case if and only if, for each firm, the number of linearly independent combinations of securities having payoffs correlated with, but not dependent on, the firms output is equal to the number of degrees of freedom in the firm's production technology.

Transport diffusion of gases is rapid in flexible carbon nanotu

Molecular dynamics simulations of rigid, defect-free single-walled carbon nanotubes have previously suggested that the transport diffusivity of gases adsorbed in these materials can be orders of magnitude higher than any other nanoporous material (A. I. Skoulidas et al., Phys. Rev. Lett. 2002, 89, 185901). These simulations must overestimate the molecular diffusion coefficients because they neglect energy exhange between the diffusing molecules and the nanotube. Recently, Jakobtorweihen et al. have reported careful simulations of molecular self-diffusion that allow nanotube flexibility (Phys. Rev. Lett. 2005, 95, 044501). We have used the efficient thermostat developed by Jakobtorweihen et al. to examine the influence of nanotube flexibility on the transport diffusion of CH4 in (20,0) and (15,0) nanotubes. The inclusion of nanotube flexibility reduces the transport diffusion relative to the rigid nanotube by roughly an order of magnitude close to zero pressure, but at pressures above about I bar the transport diffusivities for flexible and rigid nanotubes are very similar, differing by less than a factor or two on average. Hence, the transport diffusivities are still extremely large compared to other known materials when flexibility is taken into account.

Quality of service in flexible workflows through process constraints

Workflow technology has delivered effectively for a large class of business processes, providing the requisite control and monitoring functions. At the same time, this technology has been the target of much criticism due to its limited ability to cope with dynamically changing business conditions which require business processes to be adapted frequently, and/or its limited ability to model business processes which cannot be entirely predefined. Requirements indicate the need for generic solutions where a balance between process control and flexibility may be achieved. In this paper we present a framework that allows the workflow to execute on the basis of a partially specified model where the full specification of the model is made at runtime, and may be unique to each instance. This framework is based on the notion of process constraints. Where as process constraints may be specified for any aspect of the workflow, such as structural, temporal, etc. our focus in this paper is on a constraint which allows dynamic selection of activities for inclusion in a given instance. We call these cardinality constraints, and this paper will discuss their specification and validation requirements.

Flexible proof reuse for software verification

Proof reuse, or analogical reasoning, involves reusing the proof of a source theorem in the proof of a target conjecture. We have developed a method for proof reuse that is based on the generalisation replay paradigm described in the literature, in which a generalisation of the source proof is replayed to construct the target proof. In this paper, we describe the novel aspects of our method, which include a technique for producing more accurate source proof generalisations (using knowledge of the target goal), as well as a flexible replay strategy that allows the user to set various parameters to control the size and the shape of the search space. Finally, we report on the results of applying this method to a case study from the realm of software verification.