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yi P = xi i Pisat
ln Pisat = Ai - Bi /( T + Ci )
Txy Diagram
Txy diagram plots bubble and dew point curves at constant pressure P. Put
down the liquid mol fraction x1 from 0.0 to 1.0 with increment of 0.01 in
spreadsheet. Iteration is done for each liquid mol fraction to estimate
equilibrium temperature T and activity coefficient i.
For first iteration, T1sat and T2sat are calculated from Antoine equation.
Temperatue thus calculated is used for next iteration and activity coefficients
1 and 2 are calculated. Iterations are repeated till there is no change in
subsequent temperature estimations. Typically temperature difference
becomes negligible within 10 iterations.
Above steps are repeated for all liquid mol fractions, thereby giving a table of
x1 and corresponding temperature T. Vapor mol fraction y1 is calculated as
following
y1 = x1 1 P1sat/ P
P1 = x1 1 P1sat
P2 = (1 - x1) 2 P2sat
P = P1 + P 2
y1 = P1 / P
Modified Rackett equation is used to estimate liquid molar volume V1 & V2.
V = (RTc/Pc)ZRA [1 + (1-Tr)^(2/7)]
NRTL Model
Activity coefficient for binary system are defined as
Parameter g12 g22 and g21 g11 are binary parameters available from
literature. 12 is related to non-randomness in mixture and is available from
literature for binary pairs.
UNIQUAC Model
Activity coefficient for binary system are defined as
Parameter u12 u22 and u21 u11 are binary parameters available from
literature. Remaining parameters are calculated as following
Spreadsheet
All above calculations along with iterative procedure for Txy diagram have
been modeled in below spreadsheet. Sheets can be modified and more binary
pairs can be added in data-bank.