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In this paper, design and optimization procedures are developed for a conventional extractive distillation sequence and a thermally coupled extractive distillation scheme. The proposedmethodologies detect the optimal values of the design variables in order to guarantee theminimumenergy consumption. It was found that the optimumenergy consumption can be related to the minimum total annual operat...

We show that the relative entropy, S(rel) identical with Sigma(p(T)) ln(p(T)/p(M)), provides a fundamental and unifying framework for multiscale analysis and for inverse molecular-thermodynamic problems involving optimization of a model system (M) to reproduce the properties of a target one (T). We demonstrate that the relative entropy serves as a generating function for principles in variation...

Fifty years ago, the optimization of thermoelectric devices was analyzed by considering the relation between optimal performances and local entropy production. Entropy is produced by the irreversible processes in thermoelectric devices. If these processes could be eliminated, entropy production would be reduced to zero, and the limiting Carnot efficiency or coefficient of performance would be o...

The TiC1−xNx system has long been prized in industry because of its desirable thermodynamic and hardness characteristics. Previous studies have not produced comprehensive results describing the ordering tendencies of TiC1−xNx at any temperature. We apply the mixed-basis cluster expansion and Monte Carlo methods to the problem and find a fascinating array of ground-state structures occurring at ...

A new simulation model for Hydrogen production is developed on the Aspen Plus platform. Designing, Analysis and Optimization of the Metal Chloride based cyclic process is done thereby calculating the energy, exergy and overall efficiency of the same using the simulation software. Kinetic and thermodynamic analysis of chemical reactions occurring in each equipment of the proposed model is done. ...

The analysis of complex thermodynamic systems with exergetic and 2nd law methods is continually performed for various fields of engineering. This also applies to environmental control systems (ECS) of aircraft. This paper focuses on methods of exergy and energy analysis applied to ECS. It gives a survey of the published material and identifies the state of the art. Furthermore, this analysis in...

Combinatorial optimization problems arise in different fields of science and engineering. There exist some general techniques coping with these problems such as simulated annealing (SA). In spite of SA success, it usually requires costly experimental studies in fine tuning the most suitable annealing schedule. In this Letter, the classical integrated circuit placement problem is faced by Thermo...

Molecular recognition by intrinsically disordered proteins (IDPs) plays a central role in many critical cellular processes. Toward achieving detailed mechanistic understanding of IDP-target interactions, here we employ the "Hamiltonian mapping" methodology, which is rooted in the weighted histogram analysis method (WHAM), for the fast and efficient calibration of structure-based models in studi...

In this study, artificial neural networks (ANNs) have been used for performance analysis of a CO2/NH3 cascade refrigeration system using a data set, obtained from a thermodynamic model implemented in EES. Thermodynamic parameters of the system are estimated in terms of condensing temperature of ammonia, evaporating temperature of carbon dioxide, condensing temperature of carbon dioxide and temp...