ThermoC: examples

The example below shows the calculation of the vapour pressure curve of nitrogen with two different equations of state (IUPAC reference equation and generalized Trebble–Bishnoi–Salim). The first part is the dialog created by the thermoc script (user entries shown in red), the second the resulting log file.

Note that the script remembers previous user input!

input dialog:

$
thermoc⏎
*** ThermoC-4.1 master script ***

HINT: Press RETURN to accept a default value.
      Enter "." to quit a program.
      Enter "?" for help. (Sometimes this works.)

name of log file: N2⏎
program to run: [] ffe1⏎
equation of state: [] IUPAC-N2⏎

substance name:
[] nitrogen⏎
parameter set ID number:
[] 1⏎
calculation for given T or p (T|p):
[] T⏎
T (value or range):
[] (70 140 5)⏎
T (value or range):
[] .⏎
program to run: [ffe1]
equation of state: [IUPAC-N2] TBSg⏎
substance name:
[nitrogen] ⏎
parameter set ID number:
[1] ⏎
calculation for given T or p (T|p):
[T] ⏎
T (value or range):
[(70 140 5)] (70 140 10)⏎
T (value or range):
[] .⏎
program to run: [ffe1] exit⏎
$
	  

result file:

===========================================================================
Vapour pressure curve of nitrogen

equation of state: IUPAC-N2
parameter set:     1 {fixed}

+
      T            p          Vml          Vmg          dHm
      K          MPa      cm3/mol      cm3/mol        J/mol
  70.00  3.89770e-02  3.33188e+01  1.46071e+04  5.81883e+03
  75.00  7.68048e-02  3.41951e+01  7.83107e+03  5.64870e+03
  80.00  1.38047e-01  3.51818e+01  4.55949e+03  5.46431e+03
  85.00  2.30481e-01  3.62927e+01  2.83067e+03  5.26247e+03
  90.00  3.62470e-01  3.75514e+01  1.84736e+03  5.03831e+03
  95.00  5.42780e-01  3.89946e+01  1.25304e+03  4.78569e+03
 100.00  7.80490e-01  4.06783e+01  8.74941e+02  4.49693e+03
 105.00  1.08503e+00  4.26900e+01  6.23441e+02  4.16158e+03
 110.00  1.46645e+00  4.51810e+01  4.49143e+02  3.76346e+03
 115.00  1.93608e+00  4.84594e+01  3.23079e+02  3.27239e+03
 120.00  2.50822e+00  5.33677e+01  2.26347e+02  2.61435e+03
 125.00  3.20673e+00  6.51326e+01  1.37519e+02  1.40818e+03
ffe1: temperature above the critical point
-
===========================================================================
Vapour pressure curve of nitrogen

equation of state: TBSg
parameter set:     1 {crit}

+
      T            p          Vml          Vmg          dHm
      K          MPa      cm3/mol      cm3/mol        J/mol
  70.00  3.52397e-02  3.24489e+01  1.62195e+04  6.04195e+03
  80.00  1.30057e-01  3.41771e+01  4.86513e+03  5.66728e+03
  90.00  3.51330e-01  3.65362e+01  1.91315e+03  5.20382e+03
 100.00  7.71673e-01  3.99744e+01  8.82749e+02  4.59847e+03
 110.00  1.46930e+00  4.55884e+01  4.41315e+02  3.75770e+03
 120.00  2.52622e+00  5.75298e+01  2.16661e+02  2.41585e+03
ffe1: temperature above the critical point
-
$
	  

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