Page 192 - Characterization and Properties of Petroleum Fractions - M.R. Riazi
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  AT029-04
                        AT029-Manual-v7.cls
                                           June 22, 2007
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            AT029-Manual
         172 CHARACTERIZATION AND PROPERTIES OF PETROLEUM FRACTIONS
                 40
                                                              M 1 (molecular weight of the first component in the mixture).
                                                              The best value for M o is the lower molecular weight boundary
                                                              for C 7 group that is M in Table 4.10, which is 88. Similarly
                                                                                 −
                                                                                 7
              Discrete Mole Percent  20                       0.7 for the initial guesses of M o , T bo , and SG o , respectively.
                                                              the best initial guess for T bo and SG o are 351 K and 0.709,
                 30
                                                              respectively. These numbers can be simplified to 90, 350, and
                                                              Similarly for a C 6+ fraction, the initial guess for its M o can be
                                                              taken as the lower molecular weight boundary for C 6 (M ).
                                                                                                              −
                                                                                                              6
                                                              For this example, based on the value of M o = 90, parameters
                                                              Y i and X i are calculated and are given in Table 4.12. A linear
                                                              regression gives values of C 1 and C 2 and from Eq. (4.58) pa-
                 10
                                                              rameters A and B are calculated which are given in Table 4.12.
                                                              For these values of M o , A, and B, values of M i are calculated
                                                              from Eq. (4.56) and the error function E(M o ) and AAD% are
                 0
                   0       25      50       75      100       calculated as 2.7 and 1.32, respectively. Value of M o should
                                                              be changed so that E(M o ) calculated from Eq. (4.59) is mini-  --`,```,`,``````,`,````,```,,-`-`,,`,,`,`,,`---
                        Cumulative Mole Percent               mized. As shown in Table 4.12, the best value for this sam-
                                                              ple is M o = 91 with A = 0.2854 and B = 0.9429. These co-
              FIG. 4.10—Relation between discrete and cumula-  efficients gives RMS or E(M o ) of 2.139 and AAD of 0.99%,
             tive mole fractions for the system of Example 4.7.  which are at minimum. At M o = 91.1 the value of E(M o )is
                                                              calculated as 2.167. The same values for coefficients M o , A M ,
          For the mixture shown in Table 4.11 there are 12 compo-  and B M can be obtained by using Solver tool in Microsoft
         nents each having molecular weight of M i and mole fraction  Excel spreadsheets. Experience has shown that for gas con-
         of x i (i = 1,..., 12). Values of cumulative mole fraction, x cmi  densate systems and light fractions value of B M is very close
         corresponding to each value of M i can be estimated as:  to one like in this case. For such cases B M can be set equal
                                                              to unity which is equivalent to C 2 = 1. In this example at
                             x mi−1 + x mi
        (4.62)  x cmi = x cmi−1 +       i = 1, 2, ... , N     M o = 89.856, we get C 1 =−1.1694 and C 2 = 1 which from
                                 2
                                                              Eq. (4.58) yields A M = 0.3105 and B M = 1. Use of these co-
         where both x cm0 and x m0 (i = 0) are equal to zero. According to  efficients in Eq. (4.56) gives E(M o ) of 2.83 and AAD of 1.39%,
         this equation, for the last fraction (i = N), x cmN = 1 − x mN /2.  which is slightly higher than the error for the optimum value
         Equation (4.62) can be applied to weight and volume fractions  of M o at 91. Therefore, the final values of coefficients of
         as well by replacing the subscripts m with w or v, respectively.  Eq. (4.56) for M in terms of cumulative mole fraction are de-
         Values of x cmi , x cwi , and x cvi are calculated from Eq. (4.62)  termined as: M o = 91, A M = 0.2854, B M = 0.9429. The molar
         and are given in the last three columns of Table 4.11. Since  distribution can be estimated from Eq. (4.56) as
         amount of the last fraction (residue) is very small, x cN is very

                                                                                    1
         close to unity. However, in most cases especially for heavy oils  M =  0.2854  ln  1  0.9429 = 0.28155 ln  1  1.06056
                                                                   ∗
         the amount of residues may exceed 50% and value of x c for    0.9429   x ∗                1 − x cm
         the last data point is far from unity. The relation between x cm       ∗
         and x m is shown in Fig. 4.10.                       From definition of M in Eq. (4.56) we can calculate M as
          To obtain molar distribution for this system, parameters  (4.63)      M = M ◦ × (1 + M )
                                                                                              ∗
         M o , A M , and B M for Eq. (4.56) should be calculated from the
         linear relation of Eq. (4.57). Based on the values of M i and  and for this example we get:
         x cmi in Table 4.11, values of Y i and X i are calculated from M ∗
         and x as defined by Eq. (4.57). In calculation M a value of                            1     1.06056
                                                 ∗
             ∗
         M o is needed. The first initial guess for M o should be less than  M = 89.86 1 + 0.28155 ln
                                                                                             1 − x cm
                        TABLE 4.12—Determination of coefficients of Eq. (4.56) for molecular weight from data of Table 4.11.
                                     M o = 90, C 1 =−1.1809, C 2 = 1.0069, A = 0.3074,  M o = 91, C 1 =−1.2674, C 2 = 1.0606, A = 0.2854,
                                                                                      2
                                             2
                                    B = 0.9932, R = 0.998, RMS = 2.70, AAD = 1.32%  B = 0.9429, R = 0.999, RMS = 2.139, AAD = 0.99%
         M i     x ∗ i    X i      M i ∗    Y i     M calc   M 2 i  %AD     M ∗ i     Y i     M i calc   M i 2  %AD
                                                     i
          95    0.839   −1.743    0.056   −2.89      94.8    0.0    0.2    0.044    −3.125    95.0     0.0    0.0
         107    0.54    −0.484    0.189   −1.667    107.0    0.0    0.0    0.176    −1.738   106.3     0.4    0.6
         121    0.313    0.15     0.344   −1.066    122.1    1.3    0.9    0.330    −1.110   121.1     0.0    0.0
         136    0.164    0.591    0.511   −0.671    140.1   16.9    3.0    0.495    −0.704   139.0     8.8    2.2
         149    0.1      0.833    0.656   −0.422    153.9   24.5    3.3    0.637    −0.450   153.0    16.1    2.7
         163    0.08     0.927    0.811   −0.209    160.3    7.5    1.7    0.791    −0.234   159.5    12.4    2.2
         176    0.049    1.101    0.956   −0.045    173.7    5.3    1.3    0.934    −0.068   173.3     7.1    1.5
         191    0.028    1.273    1.122    0.115    189.6    2.0    0.7    1.099     0.094   189.9     1.2    0.6
         207    0.016    1.413    1.3      0.262    204.6    5.8    1.2    1.275     0.243   205.6     1.8    0.7
         221    0.01     1.53     1.456    0.375    219.0    4.0    0.9    1.429     0.357   220.9     0.0    0.1
         237    0.006    1.634    1.633    0.491    233.2   14.3    1.6    1.604     0.473   236.0     1.0    0.4
         264    0.002    1.814    1.933    0.659    261.6    5.6    0.9    1.901     0.642   266.4     5.9    0.9
                     2
           2
          M = (M calc  − M i ) ,%AD = Percent absolute relative deviation.
           i
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