甲醇水溶液模拟

请帮我做一下aspen的混合物的凝固点的模拟。谢谢了！

1、目的

甲醇水溶液的凝固点比水低。因此。一定比率的甲醇水溶液可以防冻。甲醇质量分数越大，凝固点越低。但是加过多甲醇有时候会造成污染或浪费。我们生产主任是通过把不同比率的溶液放入冰箱中实验。其实网上也能查出结果来。但我想学会用aspen软件算出不同浓度的甲醇水溶液的凝固点。

2、参考

我从网上找了一篇甲醇水溶液的模拟说明。全英文的。介绍整个模拟过程。没有图。

全文如下：

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'

IN-UNITS MET PRESSURE=ATM TEMPERATURE=C DELTA-T=C PDROP=ATM

DATABANKS PURECOMP / SOLIDS / NOASPENPCD PROP-SOURCES PURECOMP / SOLIDS

COMPONENTS WATER H2O WATER / METHANOL CH4O METHANOL

The NRTL physical property option set will be used. PROPERTIES NRTL

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

NRTL Option-Set with a new property route for PHIS called PHIS06N PROP-REPLACE NRTL NRTL PROP PHIS PHIS06N

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

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 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 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

3、我的操作步骤：

3.1 定义了全局和组分

3.2 做

ROUTES

3.3 然后给NRTL-1消红：

3.4 接下来做凝固点的物性集：

3.5 做

analysis:

3.6 可是运行后没有结果！不知道是我哪出错了。

如果做出结果来，希望能把文件发一个给我。并说明一下我错在哪了？谢谢了！！！