Modelling and simulation framework for reactive transport of organic contaminants in bed-sediments using a pure java object - oriented paradigm

Numerical modelling and simulation of organic contaminant reactive transport in the environment is being increasingly relied upon for a wide range of tasks associated with risk-based decision-making, such as prediction of contaminant profiles, optimisation of remediation methods, and monitoring of changes resulting from an implemented remediation scheme. The lack of integration of multiple mechanistic models to a single modelling framework, however, has prevented the field of reactive transport modelling in bed-sediments from developing a cohesive understanding of contaminant fate and behaviour in the aquatic sediment environment. This paper will investigate the problems involved in the model integration process, discuss modelling and software development approaches, and present preliminary results from use of CORETRANS, a predictive modelling framework that simulates 1-dimensional organic contaminant reaction and transport in bed-sediments

Dynamic hybrid simulation of batch processes driven by a scheduling module

Simulation is now a CAPE tool widely used by practicing engineers for process design and control. In particular, it allows various offline analyses to improve system performance such as productivity, energy efficiency, waste reduction, etc. In this framework, we have developed the dynamic hybrid simulation environment PrODHyS whose particularity is to provide general and reusable object-oriented components dedicated to the modeling of devices and operations found in chemical processes. Unlike continuous processes, the dynamic simulation of batch processes requires the execution of control recipes to achieve a set of production orders. For these reasons, PrODHyS is coupled to a scheduling module (ProSched) based on a MILP mathematical model in order to initialize various operational parameters and to ensure a proper completion of the simulation. This paper focuses on the procedure used to generate the simulation model corresponding to the realization of a scenario described through a particular scheduling