Alkoxy Chain Effect on the Viscosity of a Quaternary Ammonium Ionic Liquid: Molecular Dynamics Simulations

The viscosity of ionic liquids based on quaternary ammonium cations is reduced when one of the alkyl chains is replaced by an alkoxy chain (Zhou et al. Chem. Eur. J. 2005, 11, 752.). A microscopic picture of the role played by the ether function in decreasing the viscosity of quaternary ammonium ionic liquids is provided here by molecular dynamics (MD) simulations. A model for the ionic liquid N-ethyl-N,N-dimethyl-N-(2-methoxyethyl)ammonium bis(trifluoromethanesulfonyl)imide, MOENM(2)E TFSI, is compared to the tetraalky-lammonium counterpart. The alkoxy derivative has lower viscosity, higher ionic diffusion coefficients, and higher conductivity than the tetraalkyl system at the same density and temperature. A clear signature of the ether function on the liquid structure is observed in cation-cation correlations, but not in anion-anion or anion-cation correlations. In both the alkyl and the alkoxy ionic liquids, there is aggregation of long chains of neighboring cations within micelle-like structures. The MD simulations indicate that the less effective assembly between the more flexible alkoxy chains, in comparison to alkyl chains, is the structural reason for higher ionic mobility in MOENM(2)E TFSI.

Shielding of ionic interactions by sulfur dioxide in an ionic liquid

The effect of adding SO(2) on the structure and dynamics of 1-butyl-3-methylimidazolium bromide (BMIBr) was investigated by low-frequency Raman spectroscopy and molecular dynamics (MD) simulations. The MD simulations indicate that the long-range structure of neat BMIBr is disrupted resulting in a liquid with relatively low viscosity and high conductivity, but strong correlation of ionic motion persists in the BMIBr-SO(2) mixture due to ionic pairing. Raman spectra within the 5 < omega < 200 cm(-1) range at low temperature reveal the short-time dynamics, which is consistent with the vibrational density of states calculated by MD simulations. Several time correlation functions calculated by MD simulations give further insights on the structural relaxation of BMIBr-SO(2).

Joint space-time trellis decoding and channel estimation in correlated fading channels

This letter addresses the issue of joint space-time trellis decoding and channel estimation in time-varying fading channels that are spatially and temporally correlated. A recursive space-time receiver which incorporates per-survivor processing (PSP) and Kalman filtering into the Viterbi algorithm is proposed. This approach generalizes existing work to the correlated fading channel case. The channel time-evolution is modeled by a multichannel autoregressive process, and a bank of Kalman filters is used to track the channel variations. Computer simulation results show that a performance close to the maximum likelihood receiver with perfect channel state information (CSI) can be obtained. The effects of the spatial correlation on the performance of a receiver that assumes independent fading channels are examined.

Blind source separation based on phase and frequency redundancy of cyclostationary signals

This paper presents a new method for blind source separation by exploiting phase and frequency redundancy of cyclostationary signals in a complementary way. It requires a weaker separation condition than those methods which only exploit the phase diversity or the frequency diversity of the source signals. The separation criterion is to diagonalize a polynomial matrix whose coefficient matrices consist of the correlation and cyclic correlation matrices, at time delay .TAU. = 0, of multiple measurements. An algorithm is proposed to perform the blind source separation. Computer simulation results illustrate the performance of the new algorithm in comparison with the existing ones.

Blind separation of cyclostationary sources based on phase-frequency redundancy

Thin paper presents a new algorithm for blind source separation (BSS) by exploiting phase and frequency redundancy of cyclostationary signals in a complementary way. The separation criterion is to diagonalize a polynomial matrix whose coefficient matrices consist of the correlation and cyclic correlation matrices of multiple measurements. Computer simulation results illustrate, the performance of the new algorithm in comparison with some existing algorithms.

Precoder design for multi-antenna systems with temporally and spatially correlated fading channels

This paper addresses the problem of the design of a precoder for multiple transmit antenna communication systems with spatially and temporally correlated fading channels. Using the theories of matrix differential calculus, the paper derives a precoder for unitary space-time codes that can exploit the spatio-temporal correlation in the time-varying fading channels. The design criterion is based on minimizing the mean square error of the channel estimates. Computer simulation results show that a significant performance gain can be achieved by using the designed precoder.

Convergence analysis of multi-stage PIC detectors

This paper analyses the convergence behaviour of the parallel interference cancellation (PIC) detector in code division multiple access (CDMA) systems. Using the results from previous stability analysis of an iterated-map neural network, the paper derives a general condition from which the sufficient condition for convergence of the PIC detector with tentative decision functions that are monotonically increasing at a sublinear rate can be calculated. As examples, the paper derives the sufficient conditions for convergence of the PIC detector with the clip decision and the hyperbolic tangent decision functions. The paper also examines the convergence behaviour of the PIC detector with hyperbolic tangent decision function via computer simulation and compares it with the analytical results.

Predicting the acoustic performance of concert halls

Predicting the acoustic outcome and acceptance of a concert performance hall by its users could be a difficult and onerous task even for an acoustician. This paper discusses a process of how previous research findings from expert authorities have been assembled into a method of evaluating acoustic hall performance. Several parameters of acoustic qualities and quantitative measures have been identified in the literature. These relate to Beranek’s acoustic variables of performance. Existing famous concert halls which have been previously evaluated and rated are now studies in terms of their results from a computer simulation. The research findings suggest that the use of a simulation program can be extremely accurate in the prediction of acoustic performance of new non-existing concert halls.

Using constructivist experiential simulations in RE education

Experiential simulations have been used effectively for teaching business, medicine and engineering. Many are supported by computer systems that create artificial virtual spaces so learners can safely practice intricate professional skills. Surprising few attempts have been made to utilise such approaches in teaching IT/IS principles and requirements engineering (RE) in particular. This paper reports on FAB ATM, which is one of those few learning environments which rely on computer simulation and which have been designed specifically to train IS professionals, and in particular, develop their RE skills. In its framework, FAB ATM combines and balances elements of video-based computer simulation with activities, such as classroom instructions. This paper explains the principles of the FAB ATM design, its coverage of RE activities and the anecdotal experiences of students and staff that have used this environment in practice.

Touch it, feel it and experience it: developing professional IS skills using interview-style experiential simulations

The IS education field has made increasing use of computerised experiential simulations, but few attempts have been made to create an authentic learning environment that combines and balances elements of video-based computer simulation with real-life learning activities. This paper explores the design principles used to develop a CD-ROM simulation where learners use interviewing skills to elicit system requirements from simulated employees in an authentic context. The employees are videoed actors who converse with each other and with learners within a dynamic interaction model. The paper also describes how we combined this simulation with other teaching approaches such as in-class discussions, student team work, formal presentations, etc.

Decision making effectiveness in wildfire incident management teams

During large scale wildfires, suppression activities are carried out under the direction of an Incident Management Team (IMT). The aim of the research was to increase understanding of decision processes potentially related to IMT effectiveness. An IMT comprises four major functions: Command, Operations, Planning, and Logistics. Four methodologies were used to study IMT processes: computer simulation experiments; analyses of wildfire reports; interviews with IMT members; and cognitive ethnographic studies of IMTs. Three processes were important determinants of IMT effectiveness: information management and cognitive overload; matching component function goals to overall goals; and team metacognition to detect and counter task-disruptive developments. These processes appear to be complex multi-person analogues of individual Incident Command processes identified previously. The findings have implications for issues such as: creating IMTs; training IMTs; managing IMTs; and providing decision support to IMTs.

Bushfire incident management team decision making

Large scale bushfire (or wildfire) suppression activities are conducted under the control of an Incident Management Team (IMT) comprising four major functions: Command, Operations, Planning, and Logistics. Four methodologies were used to investigate processes determining the effectiveness of IMT decision making activities: (a) laboratory experiments using the Networked Fire Chief computer simulation program; (b) analyses of reports of significant fires; (c) structured interviews with experienced IMT staff; and, (d) cognitive ethnographic studies of IMTs. Three classes of team processes were found to be important determinants of IMT effectiveness: information sharing and management; matching of the four component function goals to overall IMT goals; and monitoring of the overall IMT situation to detect and correct task disruptive processes. Several non-rational processes with the potential for hindering IMT effectiveness were noted. Team metacognition emerged as a key process for understanding effective IMT decision making.

Production system model of children's development of number concepts

The purpose of the present research study was to produce a global, cumulative model of number concept development for children between the ages of two and eight years old. The theoretical and methodological orientation of this study was greatly influenced by Richard Young's production system analysis of seriation by young children (Young, 1971, 1976) and by Newell's (1973) seminal paper, ‘You can't play twenty questions with nature and win’. The methodology used in this investigation thus was as follows. A series of complex number tasks encompassing many aspects of the concept of number were developed. Five children aged between three and seven years then were videotaped while performing some of these complex number tasks. From a detailed protocol analysis of the video-recordings, computer simulation models written in the production system language PSS3 (Ohlsson, 1979) were produced. Specific production system models were produced for each of following aspects of the children's number knowledge: (i) sharing of discrete quantities; (ii) comparison of shares; and (iii) conservation/addition/subtraction of number. These domain-specific models were based on the converging experimental evidence obtained from each of the children’s responses to variants of the complex number tasks. Each child thus received a different set of problems which were chosen systematically in order to clarify particular features of the child's abilities. After a production system model for each child had been produced within a domain, these models were compared and contrasted. From this analysis, developmental trends within the domain were identified and discussed. The research and educational implications of these developmental trends then were discussed. In the concluding parts of this study, the children's domain-specific production system models were cumulated into global, comprehensive models which accurately represented their behaviour in a variety of number tasks. These comprehensive models were compared and contrasted and general developmental trends in young children's number knowledge were identified and discussed.

Hypothesis generation for management intelligence

Investigation of the role of hypothesis formation in complex (business) problem solving has resulted in a new approach to hypothesis generation. A prototypical hypothesis generation paradigm for management intelligence has been developed, reflecting a widespread need to support management in such areas as fraud detection and intelligent decision analysis. This dissertation presents this new paradigm and its application to goal directed problem solving methodologies, including case based reasoning. The hypothesis generation model, which is supported by a dynamic hypothesis space, consists of three components, namely, Anomaly Detection, Abductive Reasoning, and Conflict Resolution models. Anomaly detection activates the hypothesis generation model by scanning anomalous data and relations in its working environment. The respective heuristics are activated by initial indications of anomalous behaviour based on evidence from historical patterns, linkages with other cases, inconsistencies, etc. Abductive reasoning, as implemented in this paradigm, is based on joining conceptual graphs, and provides an inference process that can incorporate a new observation into a world model by determining what assumptions should be added to the world, so that it can explain new observations. Abductive inference is a weak mechanism for generating explanation and hypothesis. Although a practical conclusion cannot be guaranteed, the cues provided by the inference are very beneficial. Conflict resolution is crucial for the evaluation of explanations, especially those generated by a weak (abduction) mechanism.The measurements developed in this research for explanation and hypothesis provide an indirect way of estimating the ‘quality’ of an explanation for given evidence. Such methods are realistic for complex domains such as fraud detection, where the prevailing hypothesis may not always be relevant to the new evidence. In order to survive in rapidly changing environments, it is necessary to bridge the gap that exists between the system’s view of the world and reality.Our research has demonstrated the value of Case-Based Interaction, which utilises an hypothesis structure for the representation of relevant planning and strategic knowledge. Under, the guidance of case based interaction, users are active agents empowered by system knowledge, and the system acquires its auxiliary information/knowledge from this external source. Case studies using the new paradigm and drawn from the insurance industry have attracted wide interest. A prototypical system of fraud detection for motor vehicle insurance based on an hypothesis guided problem solving mechanism is now under commercial development. The initial feedback from claims managers is promising.