@TechReport{SilvaJrCost:2022:DePrEq,
               author = "Silva Junior, Jos{\'e} Raimundo da and Costa, Fernando de Souza",
                title = "Desenvolvimento de programa de equil{\'{\i}}brio 
                         qu{\'{\i}}mico para aplica{\c{c}}{\~o}es em combust{\~a}o e 
                         propuls{\~a}o",
          institution = "Instituto Nacional de Pesquisas Espaciais",
                 year = "2022",
                 type = "RPQ",
              address = "S{\~a}o Jos{\'e} dos Campos",
                 note = "{Bolsa PIBIC/PIBITI/INPE/CNPq.}",
             keywords = "equil{\'{\i}}brio qu{\'{\i}}mico, minimiza{\c{c}}{\~a}o da 
                         energia livre, combust{\~a}o, propuls{\~a}o, CEQ-INPE, chemical 
                         equilibrium, free energy minimization, combustion, propulsion.",
             abstract = "A pesquisa realizada d{\'a} prosseguimento ao projeto de 
                         inicia{\c{c}}{\~a}o cient{\'{\i}}fica anterior que desenvolveu 
                         um programa de equil{\'{\i}}brio qu{\'{\i}}mico escrito em 
                         linguagem Python para misturas reativas de gases ideais. Nesse 
                         projeto foram consideradas rea{\c{c}}{\~o}es em diferentes 
                         condi{\c{c}}{\~o}es de equil{\'{\i}}brio: i) a entalpia e 
                         press{\~a}o constantes (HP), ii) a temperatura e press{\~a}o 
                         constantes (TP), iii) a energia interna e volume constantes (UV) e 
                         iv) a temperatura e volume constantes (TV), para misturas de 
                         combust{\'{\i}}veis do tipo CHON e de oxidantes do tipo HON. A 
                         composi{\c{c}}{\~a}o dos produtos em equil{\'{\i}}brio foi 
                         obtida atrav{\'e}s das minimiza{\c{c}}{\~o}es das energias 
                         livres de Gibbs ou de Helmholtz, para os processos a press{\~a}o 
                         ou a volume constantes, respectivamente. O programa para gases 
                         ideais foi conclu{\'{\i}}do, conta com uma interface 
                         gr{\'a}fica moderna e mostra desempenho similar ao programa de 
                         equil{\'{\i}}brio qu{\'{\i}}mico da NASA (CEA2 2004), para as 
                         raz{\~o}es de equival{\^e}ncia testadas e n{\'u}mero de 
                         produtos considerados. Nesta nova etapa da pesquisa o objetivo do 
                         projeto {\'e} criar um programa de equil{\'{\i}}brio 
                         qu{\'{\i}}mico para gases reais, considerando a 
                         equa{\c{c}}{\~a}o de estado de Redlich-Kwong. Para esse fim 
                         dever{\~a}o ser efetuadas as minimiza{\c{c}}{\~o}es das 
                         energias livres de Gibbs ou de Helmholtz com base nas fugacidades 
                         de gases reais e dever{\~a}o ser calculados os res{\'{\i}}duos 
                         das entalpias, entropias e calores espec{\'{\i}}ficos em 
                         rela{\c{c}}{\~a}o aos gases ideais. O projeto ainda est{\'a} em 
                         andamento e esse relat{\'o}rio {\'e} parcial, contendo apenas o 
                         que foi obtido at{\'e} o momento. ABSTRACT: The research carried 
                         out continues the previous scientific initiation project that 
                         developed a chemical equilibrium program written in Python 
                         language for reactive mixtures of ideal gases. In this project, 
                         reactions under different equilibrium conditions were considered: 
                         i) constant enthalpy and pressure (HP), ii) constant temperature 
                         and pressure (TP), iii) constant internal energy and volume (UV) 
                         and iv) temperature and constant volume (TV), for mixtures of 
                         CHON-type fuels and HON-type oxidants. The equilibrium composition 
                         of the products was obtained through the minimization of the Gibbs 
                         or Helmholtz free energies, for the processes at constant pressure 
                         or at constant volume, respectively. The ideal gas program has 
                         been completed, has a modern graphical interface and shows similar 
                         performance to NASA's chemical equilibrium program (CEA2 2004), 
                         for the equivalence ratios tested and number of products 
                         considered. In this new stage of research, the objective of the 
                         project is to create a chemical equilibrium program for real 
                         gases, considering the Redlich-Kwong equation of state. For this 
                         purpose, the minimization of the free energies of Gibbs or 
                         Helmholtz must be carried out based on the fugacity of real gases 
                         and the residuals of enthalpies, entropies and specific heats in 
                         relation to ideal gases must be calculated. The project is still 
                         in progress and this report is partial, containing only what has 
                         been obtained so far.",
          affiliation = "{Universidade Estadual Paulista (UNESP)} and {Instituto Nacional 
                         de Pesquisas Espaciais (INPE)}",
             language = "pt",
                pages = "8",
                  ibi = "8JMKD3MGP3W34T/46HUTC8",
                  url = "http://urlib.net/ibi/8JMKD3MGP3W34T/46HUTC8",
           targetfile = 
                         Relatorio_Final_PIBIC_2021_2022_Jose_Raimundo_da_Silva_Junior.pdf",
        urlaccessdate = "21 maio 2024"
}