a procedure is presented that synthesizes fractional crystallization separation processes to obtain pure solids from multi-component solutions. the method includes a procedure to generate a network flow model to identify alternative process designs for fractional crystallization. the main advantage of this systematic procedure with respect to other reported procedures is using non-equilibrium s...

Despite the economic benefits of flowsheet optimization, many commercial tools suffer from long computational times, limited problem formulation flexibility and numerical instabilities. In this study, we address these challenges and present a framework for efficient large scale flowsheet optimization. This framework couples advanced process optimization formulations with state-of-the-art algori...

As the complexity of chemical and energy technologies has increased, the need has grown for new computer-aided design tools for process synthesis. For technologies in the early stages of development and demonstration, the need to incorporate uncertainties in the process synthesis stage is especially great. This paper presents a new and efficient method, based on stochastic annealing, to identif...

Flowsheet simulation, an important building block in chemical process development and design, generally requires the solution of a nonlinear system equations. Such simulation can fail if either no exists for chosen specifications or initial values solver are unfavorably. In this work, to overcome such convergence failures, AI-based surrogate models trained unit operations flowsheet then interco...

An integrated approach to the modelling of chemical reactors, particularly catalytic ones is presented. The modelling approach starts from quantum-chemical calculations, mechanistic hypothesis, derivation of kinetic expressions in order to achieve an appropriate kinetic model. The model parameters are determined by regression analysis and the complex behaviour of fixed bed reactors, including c...