Non-Random Two-LiquidASPEN 中，NRTL方程的参数设置问题。
ASPEN 中，NRTL方程的参数设置问题。如果只关联BIJ，设置成2，即可。
The NRTL model calculates liquid activity coefficients for the following property methods: NRTL, NRTL-2, NRTL-HOC, NRTL-NTH, and NRTL-RK. It is recommended for highly non-ideal chemical systems, and can be used for VLE and LLE applications. The model can also be used in the advanced equation-of-state mixing rules, such as Wong-Sandler and MHV2.The equation for the NRTL model is:mk:@MSITStore:C:\Program%20Files\AspenTech\AprSystem%20V7.2\GUI\Xeq\ref2.chm::/image/help1055_wmf.giffor Tlower £ T £ Tupper Where:
Gij=mk:@MSITStore:C:\Program%20Files\AspenTech\AprSystem%20V7.2\GUI\Xeq\ref2.chm::/image/help1057_wmf.gif
tij=mk:@MSITStore:C:\Program%20Files\AspenTech\AprSystem%20V7.2\GUI\Xeq\ref2.chm::/image/help1059_wmf.gif
aij=mk:@MSITStore:C:\Program%20Files\AspenTech\AprSystem%20V7.2\GUI\Xeq\ref2.chm::/image/help1061_wmf.gif
tii=0
Gii=1
aij, bij, eij, and fij are unsymmetrical. That is, aij may not be equal to aji, etc.Recommended cij Values for Different Types of Mixtures
cijMixtures
0.30Nonpolar substances; nonpolar with polar non-associated liquids; small deviations from ideality
0.20Saturated hydrocarbons with polar non-associated liquids and systems that exhibit liquid-liquid immiscibility
0.47Strongly self-associated substances with nonpolar substances
The binary parameters aij, bij, cij, dij, eij, and fij can be determined from VLE and/or LLE data regression. The Aspen Physical Property System has a large number of built-in binary parameters for the NRTL model. The binary parameters have been regressed using VLE and LLE data from the Dortmund Databank. The binary parameters for the VLE applications were regressed using the ideal gas, Redlich-Kwong, and Hayden O'Connell equations of state. See Physical Property Data, Chapter 1, for details.
Parameter Name/ElementSymbolDefaultMDSLower LimitUpper LimitUnits
NRTL/1aij0x-100.0100.0—
NRTL/2bij0x-3000030000.0TEMPERATURE
NRTL/3cij0.30x0.01.0—
NRTL/4dij0x-0.020.02TEMPERATURE
NRTL/5eij0x——TEMPERATURE
NRTL/6fij0x——TEMPERATURE
NRTL/7Tlower0x——TEMPERATURE
NRTL/8Tupper1000x——TEMPERATURE
Note: If any of bij, dij, or eijis non-zero, absolute temperature units are assumed for bij, dij, eij, and fij. Otherwise, user input units for temperature are used. The temperature limits are always interpreted in user input units.The NRTL-2 property method uses data set 2 for NRTL. All other NRTL methods use data set 1.ReferencesH. Renon and J.M. Prausnitz, "Local Compositions in Thermodynamic Excess Functions for Liquid Mixtures," AIChE J., Vol. 14, No. 1, (1968), pp. 135 – 144.
Local Compositions in Thermodynamic Excess Functions for Liquid Mixtures
我来把这篇文献分享一下！
{:1106_362:}
路过，学习一下 顶。。。求高手指点
页:
[1]