Simulação-em-All-Libraries-Model-Configuração-Termodinâmica-e-Lista-de-Componentes

All Libraries Model Writing File Create a new simulation Passo 1 configuração da janela UOM Exercício configurar Patm1 bar UOM de pressão diferença de pressão em bar temperatura em oC Passo 2 configuração da janela termodinâmica 1 para cada Tipo de fluido que não se mistura com outros Opções interessantes Botão direito do mouse Tabelas de vapor combustion products fuel gas toluene hydrogen figura extraida de Turton ConfigTermo1Fluid1 General Fluid Type Fluid1 Library ConfigTermo1 Description Thermo Type Compositional Hide in Model Library based on Role Methods Starting Values Transport Mixing Rules Component List Component Browser Models Icons Component List Name Status Type Full Name Bank NBP K SG60F MW Composition Description Number of Components 0 Sum of Starting Compositions 0 Add Component SystemSIMSCI Add Petro Component Component Browser Bank SystemSIMSCI Ethanol Library Name Formula CAS Number NBP K Leading Leading Leading SystemSIMSCI 22AminoethoxyEthanol DGA C4H11NO2 929066 49624 SystemSIMSCI 22AminoethylAminoAMETEA C4H12N2O 111411 517 SystemSIMSCI 2Butoxyethanol 2BEA C6H14O2 111762 44447 SystemSIMSCI 22ButoxyethoxyEthanol DEGMBEAC C10H20O4 124174 51845 SystemSIMSCI 2Chloroethanol CLEA C2H5ClO 107073 40175 SystemSIMSCI Diethanolamine DEA C4H11NO2 111422 54154 SystemSIMSCI Dimethylethanolamine DMEETAM C4H11NO 108010 40715 SystemSIMSCI Ethanol ETHANOL C2H6O 64175 35144 SystemSIMSCI Ethanolamine MEA C2H7NO 44315 Component List Name Status Type Full Name Bank NBP K S ETHANOL Library Ethanol SystemSIMSCI Number of Components 1 Critério Prático para a classificação de misturas Otto Frank 1977 tabela extraída de Gunther 1988 p 28 misturas de isômeros formam em geral soluções ideais hidrocarbonetos alifáticos com pontos de ebulição próximos formam soluções ideais a pressões inferiores a 10 atm compostos com peso molecular e estrutura química semelhante formam em geral misturas com desvios moderados Exemplos compostos com anéis insaturados naftênicos misturas de hidrocarbonetos alifáticos simples e aromáticos apresentam desvio moderado inertes CO2 H2S H2 N2 etc presentes em misturas com componentes mais pesados tendem a comportamento nãoideal em comparação aos demais componentes componentes polares apolares resultam sempre em desvios acentuados polaridade veja moléculas contendo O Cl F N nas quais as ligações entre esses átomos e H não apresentam elétrons igualmente distribuídos a ocorrência de azeótropos homogêneos ou heterogêneos representam o máximo de nãoidealidade Devese verificar a ocorrência antes de tudo Exercício água etanol a 1 bar Seleção de modelos termodinâmicos para o cálculo de propriedades CARLSON EA 1996 KONTOGEORGIS FOLAS 2010 Observação manuais de simuladores apresentam tipicamente recomendações por área de aplicação eou grupos funcionais Exercício água etanol a 10 bar Mistura é ideal SIM Modelos de idealidade Existem componentes polares SIM Há eletrólitos SIM P10 bar SIM Parâmetros de iteração disponíveis Parâmetros de iteração disponíveis SIM SIM LL SIM LL SIM Wilson NRTL UNIQUAC e variantes NRTL UNIQUAC e variantes UNIFAC e extensões UNIFACLL Apenas componentes Reais Teor de H2 elevado SIM MPR MSRK PR SRK Presença de pseudocomponentes P1atm Vácuo BK10 Ideal SRK PR MSRK MPR Especiais álcool amina etc NRTL com FILIUNIFAC SimSci MSRK Modelo para Eletrólitos Table 610 Recommended models and their limitations Type of mixtures Low pressures recommended models High pressures recommended models Limitations Hydrocarbons Ideal solution Simple act coeff models Cubic EoS Cubic EoS Infinite dilution conditions Highmolecularweight compounds Hydrocarbonsgases CO2 N2 Cl C2 H2S Cubic EoS Cubic EoS with kij Need of kij databases correlations for solidgas systems Polar compounds General Act coeff models Margules van Laar LC EoSGE models eg MHV2 LCVM PSRK and WS Systems with complex chemicals waterHB compounds solids liquids polymers electrolytes etc LLE VLLE Multicomponent multiphase equilibria Gaspolar compounds MHV2 PSRK LCVM Systems and gases for which parameters are not available Sizeasymmetric systems Act coeff models modified UNIFAC LCVM Systems and gases for which parameters are not available Complex and associating systems UNIQUAC EoSGE using UNIQUAC Water systems Predictions UNIFAC EoSGE using UNIFAC LLE Often good only for preliminary design Many UNIFAC parameter tables for VLE LLE water systems etc LC local composition Wilson NRTL UNIQUAC UNIFAC models HB hydrogen bonding 8 ConfigTermo1Fluid1 General Fluid Type Fluid1 Library ConfigTermo1 Description Thermo Type Compositional Hide in Model Library based on Role Methods System Phases Include nonequilibrium solid components Pure Component Property Override Data Bank Report Fluid Configuration Warnings and Thermod Starting Values Transport Mixing Rules Component List Name Status Type Full Name Bank ETHANOL Library Ethanol System H2O Library Water System Começar com fases presentes Ideal SoaveRedlichKwong SRK PengRobinson PR SRKModified PanagReid SRKM PRModified PanagReid PRM SRKHuronVidal SRKH PSRK SRKHolderbaum Gmehling NonRandom TwoLiquid NRTL Universal QuasiChemical UNIQUAC Dortmund UNIFAC Wilson GraysonStreed Improved GraysonStreed Regular Solution Model Electrolyte NRTL 9 Methods System NonRandom TwoLiquid NRTL Binary Interaction Banks SystemSIMSCI Expand Use Azeotrope Fill Azeotrope Data Banks SystemSIMSCI Expand Use Dortmund UNIFAC Fill SystemPUBLIC Expand Use Henrys Law select solutes in Component List SystemSIMSCI Expand Henrys Law Data Banks EnthalpyEntropy Route System Include Heat of Mixing Excess Enthalpy in Liquid Enthalpy Calculations Use Poynting Correction Include Fugacity Coefficient Variables in Fluid State Include Activity Coefficient Variables in Fluid State Phases VaporLiquid VLE Include nonequilibrium solid components Vapor Equilibrium PRModified PanagReid PRM Binary Interaction Banks SystemSIMSCI Expand Alpha Selection Default Alpha Databanks SystemSIMSCI Expand Alpha Data Banks Default Library Correlations Default Library Correlations Library Correlations API Rackett COSTALD Liquid Density Pure Component Property Override Data Bank Report Fluid Configuration Warnings and Therm Model Library Source Sink Valve Pipe Mix Split Header Drum Separator Column Extractor Tank Pump Expander Compress or Recip Screw HX HXU HXC HXWC HXAC HXTR HXXPF HXSW PSV Shaft ConfigTermo1 Controls CWLib Economics FlareLib Fluids Lib 1 Process Renewables SteamLib Submodels ConfigTermo1 Models MisEtanolAgua SRC1 ProcessSource Configuration FluidType ProcessDefFluid CompBasis Molar Reactions Include Industry Hide ModeCheck Process FRramp Elevations Disabled Phases Fluid Operation W F Q P T VF SRC1 ProcessSource Configuration FluidType ModelsMisEtanolAgua CompBasis Molar Reactions Include Industry Hide ModeCheck Process FRramp 0001 kmols Elevations Disabled Phases Fluid Operation W 10 kgs F 0265584 kmols Q 00124053 m3s P 2 bar T 30 C VF 0946577 mol frac M METHANOL 7 kmol MH2O 3 kmol Mt 10 kmol z Process Fluid Flow Dynamics Mode Input Spec Solved Solution Status Input Spec Solved Solution Status Show at Start All Libraries Simulation Template Roles Model Writing UOM Padrao1 Theme Light Canvas Background SRC1 S1 V1 S2 SNK1 S3 SNK2 Mini Properties Full Properties Changed Specifications Table Navigate Align Connectors Connection Models Copy Delete Simulation Manager ConfigTermo1 Main dt 01 s t 0 s V1 SNK1 SNK2 SRC1 FluidType ModelsMisEtanolAgua CompBasis Molar Reactions Include RxnRateBasis Per Unit Feed Industry Hide Flow Reference Pressure Reference Keyword View Name ConfigTermo1 Description