Formalising the Continuous/Discrete Modeling Step

Formally capturing the transition from a continuous model to a discrete model is investigated using model based refinement techniques. A very simple model for stopping (eg. of a train) is developed in both the continuous and discrete domains. The difference between the two is quantified using generic results from ODE theory, and these estimates can be compared with the exact solutions. Such results do not fit well into a conventional model based refinement framework; however they can be accommodated into a model based retrenchment. The retrenchment is described, and the way it can interface to refinement development on both the continuous and discrete sides is outlined. The approach is compared to what can be achieved using hybrid systems techniques.Comment: In Proceedings Refine 2011, arXiv:1106.348

Integration of a failure monitoring within a hybrid dynamic simulation environment

The complexity and the size of the industrial chemical processes induce the monitoring of a growing number of process variables. Their knowledge is generally based on the measurements of system variables and on the physico-chemical models of the process. Nevertheless this information is imprecise because of process and measurement noise. So the research ways aim at developing new and more powerful techniques for the detection of process fault. In this work, we present a method for the fault detection based on the comparison between the real system and the reference model evolution generated by the extended Kalman filter. The reference model is simulated by the dynamic hybrid simulator, PrODHyS. It is a general object-oriented environment which provides common and reusable components designed for the development and the management of dynamic simulation of industrial systems. The use of this method is illustrated through a didactic example relating to the field of Chemical Process System Engineering

A STOCHASTIC SIMULATION-BASED HYBRID INTERVAL FUZZY PROGRAMMING APPROACH FOR OPTIMIZING THE TREATMENT OF RECOVERED OILY WATER

In this paper, a stochastic simulation-based hybrid interval fuzzy programming (SHIFP) approach is developed to aid the decision-making process by solving fuzzy linear optimization problems. Fuzzy set theory, probability theory, and interval analysis are integrated to take into account the effect of imprecise information, subjective judgment, and variable environmental conditions. A case study related to oily water treatment during offshore oil spill clean-up operations is conducted to demonstrate the applicability of the proposed approach. The results suggest that producing a random sequence of triangular fuzzy numbers in a given interval is equivalent to a normal distribution when using the centroid defuzzification method. It also shows that the defuzzified optimal solutions follow the normal distribution and range from 3,000-3,700 tons, given the budget constraint (CAD 110,000-150,000). The normality seems to be able to propagate throughout the optimization process, yet this interesting finding deserves more in-depth study and needs more rigorous mathematical proof to validate its applicability and feasibility. In addition, the optimal decision variables can be categorized into several groups with different probability such that decision makers can wisely allocate limited resources with higher confidence in a short period of time. This study is expected to advise the industries and authorities on how to distribute resources and maximize the treatment efficiency of oily water in a short period of time, particularly in the context of harsh environments

Dynamic state reconciliation and model-based fault detection for chemical processes

In this paper, we present a method for the fault detection based on the residual generation. The main idea is to reconstruct the outputs of the system from the measurements using the extended Kalman filter. The estimations are compared to the values of the reference model and so, deviations are interpreted as possible faults. The reference model is simulated by the dynamic hybrid simulator, PrODHyS. The use of this method is illustrated through an application in the field of chemical processe

HySIA: Tool for Simulating and Monitoring Hybrid Automata Based on Interval Analysis

We present HySIA: a reliable runtime verification tool for nonlinear hybrid automata (HA) and signal temporal logic (STL) properties. HySIA simulates an HA with interval analysis techniques so that a trajectory is enclosed sharply within a set of intervals. Then, HySIA computes whether the simulated trajectory satisfies a given STL property; the computation is performed again with interval analysis to achieve reliability. Simulation and verification using HySIA are demonstrated through several example HA and STL formulas.Comment: Appeared in RV'17; the final publication is available at Springe

Open Boundary Simulations of Proteins and Their Hydration Shells by Hamiltonian Adaptive Resolution Scheme

The recently proposed Hamiltonian Adaptive Resolution Scheme (H-AdResS) allows to perform molecular simulations in an open boundary framework. It allows to change on the fly the resolution of specific subset of molecules (usually the solvent), which are free to diffuse between the atomistic region and the coarse-grained reservoir. So far, the method has been successfully applied to pure liquids. Coupling the H-AdResS methodology to hybrid models of proteins, such as the Molecular Mechanics/Coarse-Grained (MM/CG) scheme, is a promising approach for rigorous calculations of ligand binding free energies in low-resolution protein models. Towards this goal, here we apply for the first time H-AdResS to two atomistic proteins in dual-resolution solvent, proving its ability to reproduce structural and dynamic properties of both the proteins and the solvent, as obtained from atomistic simulations.Comment: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Chemical Theory and Computation, copyright \c{opyright} American Chemical Society after peer review and technical editing by the publishe