< >; TFREEZE1.INP
;
; Example of using TFREEZ to estimate freeze points
;
; The ASPEN PLUS TFREEZ property can be used as an estimate of the
; freeze-out temperature for a component in either a liquid or vapor
; mixture. The value of TFREEZ is the temperature where a component
; just begins to freeze-out at a given concentration and pressure.
; Freeze-out temperatures can be determined for vapors such as CO2, or
; for liquids such as water. In this example, the water freeze out
; temperature for water and methanol solutions will be calculated.
; See the TFREEZE2 example for an illustration on predicting
; gas-solid freeze out temperatures.
;
; The freeze-out temperature is determined from fugacity. To
; accurately estimate liquid freezing point depressions, a liquid
; fugacity model such as NRTL or ELECNRTL must be used to estimate the
; decrease in chemical potential due to the presence of other
; components. These components can be molecular or ionic. Methanol
; for example in water solutions or the Na+ and Cl- ions when sodium
; chloride is dissolved in water. The precipitated solid is assumed to
; be a single pure component making the chemical potential of the solid
; constant with respect to the concentration of other components. It
; is also important that the parameters for these models be accurate
; over the temperature range of interest.
;
; The recommended physical property route for solid fugacity (PHIS) is
; PHIS06 which uses the PHS0LIQ model by default. This model
; calculates the solid fugacity from the liquid fugacity and the solid
; heat of fusion. The solid heat of fusion is calculated at a
; reference temperature that is specified in the Prop-Set used to
; declare the TFREEZ property. For liquid systems, the use of the same
; liquid fugacity model as used in the main physical property option
; set is required. If the NRTL physical property option set is used
; with the default route for PHIL, this route (PHIL00) should be
; specified for PHIL within the PHIS06 route.
;
; In this example, the freeze-out temperatures of water are calculated
; for methanol and water solutions using a TGS Prop-Table. The results
; calculated by ASPEN PLUS based on the NRTL physical property option
; set are compared with valued reported in the literature:
;
; ----------------------------------------
; ! MASSFRAC ! TFREEZ ! FREEZING !
; ! ! LIQUID ! POINT !
; ! METHANOL ! WATER ! (LIT.*) !
; ! ! (ASPEN) ! !
; ! ! C ! C !
; ! ! ! !
; !============!============!============!
; ! 0.0 ! 1.0000-02 ! 0.0 !
; ! 5.0000-03 ! -0.2794 ! -0.278 !
; ! 1.0000-02 ! -0.5701 ! -0.560 !
; ! 2.0000-02 ! -1.1557 ! -1.140 !
; ! 3.0000-02 ! -1.7468 ! -1.750 !
; !------------+------------!------------!
; ! 4.0000-02 ! -2.3439 ! -2.370 !
; ! 5.0000-02 ! -2.9470 ! -3.020 !
; ! 6.0000-02 ! -3.5566 ! -3.710 !
; ! 7.0000-02 ! -4.1728 ! -4.410 !
; ! 8.0000-02 ! -4.7959 ! -5.13 !
; !------------+------------!------------!
; ! 9.0000-02 ! -5.4263 ! -5.85 !
; ! 0.1000 ! -6.0642 ! -6.60 !
; ! 0.1200 ! -7.3639 ! -8.14 !
; ! 0.1400 ! -8.6978 ! -9.72 !
; ! 0.1600 ! -10.0689 ! -11.36 !
; !------------+------------!------------!
; ! 0.1800 ! -11.4804 ! -11.13 !
; ! 0.2000 ! -12.9359 ! -15.02 !
; ! 0.2400 ! -15.9949 ! -19.04 !
; ! 0.2800 ! -19.2821 ! -23.59 !
; ! 0.3200 ! -22.8417 ! -28.15 !
; !------------+------------!------------!
; ! 0.3600 ! -26.7280 ! -32.97 !
; ! 0.4000 ! -30.8892 ! -38.6 !
; ! 0.4400 ! -35.6535 ! -44.5 !
; ! 0.4800 ! -41.1148 ! -51.2 !
; ! 0.5200 ! -47.3315 ! -58.1 !
; !------------+------------!------------!
; ! 0.5600 ! -54.7711 ! -66.0 !
; ! 0.6000 ! -63.9138 ! -74.5 !
; ! 0.6400 ! -76.2465 ! -84.4 !
; ! 0.6800 ! -95.7561 ! -96.3 !
; ----------------------------------------
;
; * Data from Handbook of Chemistry and Physics, 52nd ed., p. D-198.
;
; See TFREEZE2 for an example of using TFREEZ with electrolytes.
;
;
; FUNCTIONING OF THE TFREEZE PROP-SET
; ------------------------------------
;
; 1. A modified PHIS06 route should be used for solid fugacity (PHIS).
; The PHIS06 route is modified in the ModelManager
; Properties.Advanced.Route form so that the liquid fugacity
; route (PHIL) in PHIS06 matches the PHIL route used for the main
; option set. This information is found on the
; Properties.Option-Sets.Routes ModelManager form. The default
; routes for PHIL are PHIL04 for ELECNRTL, PHIL45 for PSRK, and
; PHIL00 for NRTL.
;
; This is done by
; 1. Selecting the option set to be modified from the object
; manager on the Properties.Option-Sets ModelManager form.
; In this example, the NRTL physical property option set is
; modified.
;
; 2. On the Properties.Option-Sets.Routes form, assign a new
; name (PHIS06n) to the major property PHIS route.
;
; 3. Go to the Properties.Advanced.Route form and specify the
; following information for the newly created route.
; a. Copy from route PHIS06
; b. Change the PHIL property route id to match the PHIL NRTL
; property route by specifying PHIL00 for PHIL.
;
; 2. The TFREEZE PROP-SET based on the PHS0LIQ model uses a reference
; temperature. The reference temperature is the value of the TEMP
; qualifier for the PROP-SET TFREEZE if one has been entered, or
; the stream temperature if a TEMP qualifier is not specified. If
; the freeze-out temperature is below the reference temperature,
; the temperature at which that component solidifies is reported for
; TFREEZ. If the freeze-out temperature is above the reference
; temperature, no value is reported for the TFREEZ property.
;
; Product
; Release: 9.2 and 9.3 ASPEN PLUS
;
; Revision: 12/96, developed by L. Roth
; 12/96, reviewed by M. Jarvis
;
;===============================================================================
;
TGS
TITLE 'TFREEZ Example to calculate freeze-out: See Comments on Setup.Main'</P>
<P>IN-UNITS MET PRESSURE=ATM TEMPERATURE=C DELTA-T=C PDROP=ATM </P>
<P>DATABANKS PURECOMP / SOLIDS / NOASPENPCD
PROP-SOURCES PURECOMP / SOLIDS</P>
<P>COMPONENTS
WATER H2O WATER /
METHANOL CH4O METHANOL </P>
<P>; The NRTL physical property option set will be used.
PROPERTIES NRTL </P>
<P>; Create a new property route for PHIS
; The new route is copied from PHIS06 but uses PHIL00 for PHIL.
; PHIL00 is the default PHIL route for NRTL.
MP-ROUTE PHIS06N PHIS 3 PHIS06
MPROP PHIL PHIL00 </P>
<P>; NRTL Option-Set with a new property route for PHIS called PHIS06N
PROP-REPLACE NRTL NRTL
PROP PHIS PHIS06N </P>
<P>PROP-DATA NRTL-1
IN-UNITS MET PRESSURE='KG/SQCM' TEMPERATURE=C DELTA-T=C &
PDROP=ATM
PROP-LIST NRTL
BPVAL WATER METHANOL 2.732200000 -617.2687000 .3000000000 &
0.0 0.0 0.0 24.99000610 100.0000061
BPVAL METHANOL WATER -.6930000000 172.9871000 .3000000000 &
0.0 0.0 0.0 24.99000610 100.0000061 </P>
<P>; TFREEZ Property-Set.
; A reference temperature, TEMP, that is below the freezing point
; should be specified.
PROP-SET TFREEZ TFREEZ UNITS='C' SUBSTREAM=MIXED COMPS=WATER &
PHASE=L TEMP=-250 </P>
<P>; Tabulate the freeze-out temperature for water for various methanol
; concentrations.
PROP-TABLE PT-MEOH PROPS
MASS-FLOW WATER 1
STATE TEMP=25 PRES=1 <ATM>
VARY MASS-FRAC COMP=METHANOL
RANGE LIST=0 .005 .01 .02 .03 .04 .05 .06 .07 .08 .09 &
.1 .12 .14 .16 .18 .20 .24 .28 .32 .36 .40 .44 &
.48 .52 .56 .60 .64 .68
TABULATE PROPERTIES=TFREEZ
</P> |
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