
Prode Properties Properties of pure fluids and mixtures, multiphase equilibria, process simulation


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Excel / Matlab application example : calculate properties of pure fluids and mixtures
With Prode Properties it's easy to calculate the properties of a pure fluid or a mixture,this Excel application example shows how to calculate a value in a cell and print table of values for different properties in a specified range of temperature and pressure
First step: define the stream (components, compositions etc.)
Properties includes a Stream editor which permits to access all informations (as compositions, operating conditions, models, options) for all streams which you need to define, to access the Stream editor from Excel Properties menu select Edit Properties
The Stream editor includes several pages, from the first page you can select a stream (Properties can store all the streams required to define a medium size plant) solve a series of flash operations and see the resulting compositions in the different phases, in this page select the stream you wish to define, for example the first.
In the second page you can define a new composition or modify an existing composition, in this example we define C1 0.7 CO2 0.15 H2S 0.15 as molar fractions
In the third page you can define the package (thermodynamic models and related options) , here we define API Soave Redlick Kwong.
The fourth page provides access to BIP (Binary Interaction Parameters) for the different models, you can enter specific values or click on "Load BIPs" button to get the predefined BIPs from databank.
Finally we must save the new data, in the first page click on "Save" button, note that you can redefine the name of the stream as you wish (editing the cell near the button "Save"), you can define / modify many streams following the procedure described.
Once defined the stream you may wish to define the units which we wish to utilize in our problem, in stream editor go then to the "Units" dialog
here you can select the units which you need for a specific problem, in this example for the pressure (first row) select Bar.a , notice that unit for temperature is K (but you can set the units which you prefer) then click on Ok button to accept new values and leave the Properties editor. Now you are ready to use Properties for calculating all the properties which you need, however there is still a last thing to do if you do not wish to lose all data when leaving a Excel page, precisely to save data to a file, to save data to a file from Excel Properties menu select "Save a Archive"
then select the file "def.ppp" if you wish that Properties utilizes this data as default (this is the normal , recommended option), differently set a different name (you can for example define different names for different projects) but you will need to load that specific Archive before to make calc's for that project and since Excel reloads Properties with any new page this may result tedious... Properties saves on the file also the units of measurement so you can define different streams and different units in different projects.
Now you can calculate all the properties which you need with the units which you prefer for all the streams defined in that project.
Second step: calculate properties in Excel cells.
Suppose we wish to calculate the densities for the mixture defined in stream 1 directly in the cells, in B3 we enter the macro =EStrLD(1,B1,B2) , for calculating liquid density of stream 1 at temperature specified in B1 and pressure specified in B2 ,in B4 we enter the macro =EStrGD(1,B1,B2) for calculating the gas density and in B5 the macro =EStrLf(1,B1,B2) for calculating the liquid fraction
In B1 we enter 200 as temperature (remember we have K as unit) and in B2 we enter 5 as pressure (remember we have set Bar.a as unit), densities are in Kg/m3 , notice that when you change B1 or B2 Prode Properties recalculates these values.
Now you can modify the stream 1 (changing the list of components, the compositions or models) or the units of measurement and Prode Properties will calculate the value of densities and liquid fraction accordingly, in this way is very easy with Excel to solve many different problems leaving to Prode Properties the task to calculate all properties for pure fluids and mixtures.
Calculate properties in Matlab.
From Matlab command line you can call the methods in Prode Properties by typing the names, for example to calculate cp/cv at specified conditions >> EstrGCp(1,300,500000)/EstrGCv(1,300,500000) >> ans = 1.3211 or, to calculate the speed of sound for vapor phase at same conditions >> EstrGSS(1,300,500000) >> ans = 374.1625 in Matlab (as In Excel) you can access the Properties editor from menu associated with the figure.
Herebelow a short list of the properties available, read the operating manual for additional information.
 Phase fraction (vapor, liquid, solid)
 (True) critical point pressure of mixtures
 (True) critical point temperature of mixtures
 Cricondentherm temperature of mixtures
 Cricondentherm pressure of mixtures
 CricondenBar temperature of mixtures
 CricondenBar pressure of mixtures
 Cloud point temperature of mixtures
 Cloud point pressure of mixtures
 Enthalpy of gas / vapor phase
 Enthalpy of liquid phase
 Enthalpy of solid phase
 Entropy of gas / vapor phase
 Entropy of liquid phase
 Entropy of solid phase
 Density of gas / vapor phase
 Density of liquid phase
 Density of solid phase
 Isobaric specific heat (Cp) of gas / vapor phase
 Isobaric specific heat (Cp) of liquid phase
 Isochoric specific heat (Cv) of gas / vapor phase
 Isochoric specific heat (Cv) of liquid phase
 Gas heating value
 Gas Wobbe index
 Gas Specific gravity
 Joule Thomson coefficients of gas / vapor phase
 Joule Thomson coefficients of liquid phase
 Isothermal compressibility of gas / vapor phase
 Isothermal compressibility of liquid phase
 Volumetric expansivity of gas / vapor phase
 Volumetric expansivity of liquid phase
 Speed of sound in gas / vapor phase
 Speed of sound in liquid phase
 Speed of sound in gas+liquid (mixed) phase
 Viscosity of gas / vapor phase
 Viscosity of liquid phase
 Thermal conductivity of gas / vapor phase
 Thermal conductivity of liquid phase
 liquid Surface tension
Third step: calculate tables of values and print graphs.
Finally we'll see how to calculate and graph tables of values in a range of temperatures for many different properties (liquid fraction, cp, cv, density, viscosity, thermal conductivity, speed of sound) for both gas and liquid phases, for doing this we’ll use a predefined Excel page, from Excel menu File>open , in Excel folder (in Prode Properties installation) select the file props.xls
If you wish you can modify the stream composition or the units of measurement , in that case, as before from Properties menu access the Properties editor and modify the previous data.
Then enter (in the proper units) the desired range of temperatures (cells B2B3) and the operating pressure (cell B4) and click on compute button to calculate the data, Prode Properties will print the values with the desired units of measuremebt.
In the same page there are a series of graphs which show the different properties at different operating conditions.
As you see Properties is a useful tool in everyday work, you can calculate rigorously, easily and quickly many different properties, you can set preferred units, you can define and save many different streams.
Technical features overview (Windows version)
 Entirely written in C++, Microsoft MFC provides Microsoft Windows functionalities.
 Up to 100 different streams with up to 50 components per stream (user can redefine)
 Several compilations of chemical data and BIPs are available, the user can add new components and BIPs
 Proprietary compilation with data on more than 1500 chemicals and 25000 BIPs
 flexible database format (support for up to 30 different correlations) works with all majour standards including DIPPR.
 Comprehensive set of thermodynamic models, base version includes
 Regular
 Wilson
 NRTL
 UNIQUAC
 UNIFAC
 SoaveRedlichKwong (standard and extended version with parameters calculated for best fitting of vapor pressure, density and enthalpy)
 PengRobinson (standard and extended version with parameters calculated for best fitting of vapor pressure, density and enthalpy)
 Benedict Webb Rubin (Starling) BWRS
 Steam Tables IAPWS 95
 ISO 18453 (GERG 2004)
 ISO 20765 (AGA model)
 LeeKesler (Plocker) LKP
 Cubic Plus Association (SRK and PR variants)
 Hydrates (Cubic Plus Association, Van Der WaalsPlatteeuw)
 additional models as Pitzer, NRTL for electrolyte solutions, PC SAFT (with association contribute), GERG (2008) etc. available in extended versions.
 van der Waals and complex mixing rules (Huron Vidal, Wong Sandler etc.)
 Base and Extended (to fit experimental data) EOS parameters.
 Selectable units of measurement
 Procedure for solving single phase, two phase, multiphase fluid flow
 Procedure for solving staged columns
 Rigorous solution of distillation columns, fractionations, absorbers, strippers...
 Procedure for calculating temperature / pressure formation of gas hydrates
 hydrate phase equilibria based on Cubic Plus Association and Van Der WaalsPlatteeuw models
 Procedure for solving polytropic compression with phase equilibria
 Huntington method for gas phase
 Proprietary method for solving a polytropic process with phase equilibria
 Procedure for solving isentropic nozzle (safety, relief valve with single and two phase flow)
 HEM, Homogeneous Equilibrium
 HNEDS, Homogeneous Nonequilibrium
 NHNE, Nonhomogeneous Nonequilibrium
 Procedure for simulating fluid flow in piping (pipelines) with heat transfer
 Beggs and Brill and proprietary methods for single phase and multiphase fluid flow with heat transfer
 Procedure for fitting BIP to measured VLE / LLE / SLE data points (data regression)
 Procedure for fitting BIP to VLE values calculated with UNIFAC
 Functions for simulating operating blocks (mixer, gas separator, liquid separator) **
 Functions for accessing component data in database (the user can define mixing rules)
 gas / vaporliquidsolid fugacity plus derivatives vs. temperature pressure composition
 gas / vaporliquidsolid enthalpy plus derivatives vs. temperature pressure composition
 gas / vaporliquidsolid entropy plus derivatives vs. temperature pressure composition
 gas / vaporliquidsolid molar volume plus derivatives vs. temperature pressure composition
 Flash at Bubble and Dew point specifications and P (or T)
 Flash at given temperature (T) and pressure (P) multiphase vaporliquidsolid, isothermal flash
 Flash at given phase fraction and P (or T), solves up to 5 different points
 Flash at given enthalpy (H) and P multiphase vaporliquidsolid, includes adiabatic flash
 Flash at given enthalpy (H) and T multiphase vaporliquidsolid, includes adiabatic flash
 Flash at given entropy (S) and P multiphase vaporliquidsolid, includes isentropic flash
 Flash at given entropy (S) and T multiphase vaporliquidsolid, includes isentropic flash
 Flash at given volume (V) and P multiphase vaporliquidsolid, includes isochoric flash
 Flash at given volume (V) and T multiphase vaporliquidsolid, includes isochoric flash
 Rigorous (True) critical point plus Cricondentherm and Cricondenbar
 Complete set of properties for different states
 gas / vaporliquidsolid density
 gas / vaporliquid Isobaric specific heat (Cp) and Isochoric specific heat (Cv) plus cp/cv
 Gas heating value
 Gas Wobbe index
 Gas Specific gravity
 gas / vaporliquid Joule Thomson coefficients
 gas / vaporliquid Isothermal compressibility
 gas / vaporliquid Volumetric expansivity
 gas / vaporliquid Speed of sound
 gas / vaporliquid Viscosity
 gas / vaporliquidsolid Thermal conductivity
 gas / vapor compressibility factor
 liquid Surface tension
Typical applications
 Fluid properties in Excel, Matlab and other Windows and UNIX (**) applications
 Thermodynamics, physical, thermophysical properties
 Process simulation
 Heat / Material Balance
 Process Control
 Process Optimization
 Equipment's Design
 Separations
 Instrument's Design
 Realtime applications
 petroleum refining, natural gas, hydrocarbon, chemical, petrochemical, pharmaceutical, air conditioning, energy, mechanical industry


Perspective users are invited to contact Prode for discussing the applications of Prode Properties


