The name is absent



where aŋi, a∏, and a2⅛, as well as bθ2,b1,, and b2i, are the model (universal) constants.
The new EOS has a different hard chain term than the PC-SAFT equation of state;
therefore the first step was to obtain the universal constants from the experimental
data of n-alkanes, following the method proposed by Gross and Sadowski for the
estimation of the constants of the original PC-SAFT equation of state [48]. During
the regression process, it was found that the sensitivity of the model to the values of
b0i, bu and b2j was low, therefore the values of b0l, b∏ and b2, regressed by Gross and
Sadowski [48] were not changed. The аОг, a∏ and а constants were regressed using
the data for the n-alkane series from n-C3 to n-C10. The universal model constants
are reported in table 2.1. It should be noted that unlike the original work by Gross
and Sadowski [48], methane was not used during the regression. This is because the
chain length parameter of methane less than two. The hard chain term in SAFT-D
is undefined for values less than two, as it includes a contribution from dimerization.
The focus of this work being on long chain molecules and polymers, this problem is
not addressed here.

i

________⅞o________

_______aɪ________

_______a2________

_______b0________

_______b2________

ɪ

0.895225463

-0.286985055

-0.235561718

0.7240946941

-0.5755498075

0.0976883116

1

0.612099057

0.234102864

0.353133874

2.2382791861

0.6995095521

-0.2557574982

2

2.712198604

-2.562524895

0.743179541

-4.0025849485

3.8925673390

-9.1558561530

3

-19.524430960

7.405608026

8.195261945

-21.0035768150

-17.2154716480

20.6420759740

4

74.955546120

-20.362454500

-27.727172880

26.8556413630

192.6722644700

-38.8044300520

5

-142.408855200

50.431494580

28.062462310

206.5513384100

-161.8264616500

93.6267740770

6

118.084041300

-87.743797970

24.379172350

-355.6023561200

-165.2076934600

-29.6669055850

Table 2.1: Universal model constants. The values of ao, aɪ and a2 were adjusted in this
work; the values of bɑ, bɪ and b2 are from Gross and Sadowski [48].

47



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