Códigos computacionais para resolução de sistemas flash e cálculos de propriedades termodinâmicas e de transporte.

Abstract

This research aims to develop a suite of computer codes that enabled the resolution of some problems involving thermodynamic and transport , very useful in the study of processes of chemical engineering . These include the calculation of properties via equations of state such as the Peng-Robinson , Redlich-Kwong and Soave-Redlich- Kwong , calculation of activity coefficient by the NRTL and Wilson methods , vapor pressure for pure components in a mixture and molar volume liquid . Among the transport properties are calculating the viscosity, surface tension and thermal capacity. All these properties are of great importance when developing a project that involves the work of a chemical engineer and can easily change the parameters of the equations in order to optimize the process without the need to redo numerous mathematical operations and resolution of systems. A study and development of computer codes and methods of resolution of the flash system was also carried out in order to meet four methods (Newton, Newton optimized successive substitution and accelerated successive substitution) that is dispersed in the literature. All calculations were validated and less than 5% error were obtained showing good accuracy in the use of codes.