Sei sulla pagina 1di 7

Homework #8 – PETE 649 – Advanced Fluid Properties – 171 Term

Nur Iman Khamidy – 201703210 – PhD Student, PETE Dept, CPG, KFUPM

Q1: For a binary system of Acetonitrile/Nitromethane, use Raoult's law to prepare


the following diagrams:
a) Pxy at T=75oC
b) Txy at P=70 kPa
Note the Antoine's Equation constants:

Component A (kPa) B (kPa.°C) C (°C) Subscript


Acetonitrile 14.2724 2945.47 224 A
Nitromethane 14.2043 2972.64 209 N

Answer:
a) There are two methods to estimate Pxy at saturation of the binary system (Acetonitrile-
Nitromethane) using Raoult’s Law, as per following below:
(1) Bubble Point Line Method
(a) Calculation Flowchart

Bubblepoint Line:
xA vs P; Dewpoint
Pisat P Line: yA vs P

xiPisat yi

(b) Equations to be used


𝐵𝑖
𝑃𝑖𝑠𝑎𝑡 = exp (𝐴𝑖 − )
𝑇 + 𝐶𝑖
𝑃 = ∑ 𝑥𝑖 𝑃𝑖𝑠𝑎𝑡
𝑥𝑖 𝑃𝑖𝑠𝑎𝑡
𝑦𝑖 =
𝑃
(c) Results

Case (a) Component Pisat, (kPa)


T, °C Acetonitrile 83.2069
75 Nitromethane 41.9827

Case (a): find Pxy


Bubble Point Line Method
xA xN Pxy, kPa yA yN
0 1 41.9827 0.0000 1.0000
0.05 0.95 44.0439 0.0945 0.9055
0.1 0.9 46.1051 0.1805 0.8195
0.15 0.85 48.1663 0.2591 0.7409
0.2 0.8 50.2275 0.3313 0.6687
0.25 0.75 52.2887 0.3978 0.6022
0.3 0.7 54.3500 0.4593 0.5407
0.35 0.65 56.4112 0.5163 0.4837

Page | 1
Homework #8 – PETE 649 – Advanced Fluid Properties – 171 Term
Nur Iman Khamidy – 201703210 – PhD Student, PETE Dept, CPG, KFUPM

0.4 0.6 58.4724 0.5692 0.4308


0.45 0.55 60.5336 0.6186 0.3814
0.5 0.5 62.5948 0.6646 0.3354
0.55 0.45 64.6560 0.7078 0.2922
0.6 0.4 66.7172 0.7483 0.2517
0.65 0.35 68.7784 0.7864 0.2136
0.7 0.3 70.8396 0.8222 0.1778
0.75 0.25 72.9008 0.8560 0.1440
0.8 0.2 74.9620 0.8880 0.1120
0.85 0.15 77.0232 0.9182 0.0818
0.9 0.1 79.0844 0.9469 0.0531
0.95 0.05 81.1456 0.9741 0.0259
1 0 83.2069 1.0000 0.0000

Pxy vs xA and yA in T = 75°C (Bubblepoint Line


Method)
90.0000
80.0000
Pxy (kPa)

70.0000
60.0000
50.0000
40.0000
0 0.2 0.4 0.6 0.8 1
xA, yA (fraction)

Bubble Point (Pxy vs xA) Dew Point (Pxy vs yA)

(2) Dew Point Line Method


(a) Calculation Flowchart

Bubblepoint Line:
Pisat yi /Pisat P xi xA vs P; Dewpoint
Line: yA vs P

(b) Equations to be used


𝐵𝑖
𝑃𝑖𝑠𝑎𝑡 = exp (𝐴𝑖 − )
𝑇 + 𝐶𝑖
1
𝑃=∑
𝑦𝑖 /𝑃𝑖𝑠𝑎𝑡
𝑦𝑖 𝑃
𝑥𝑖 = 𝑠𝑎𝑡
𝑃𝑖

Page | 2
Homework #8 – PETE 649 – Advanced Fluid Properties – 171 Term
Nur Iman Khamidy – 201703210 – PhD Student, PETE Dept, CPG, KFUPM

(c) Results

Case (a): find Pxy


Dew Point Line Method
yA yN Pxy, kPa xA xN
0 1 41.9827 0 1
0.05 0.95 43.0491 0.0259 0.9741
0.1 0.9 44.1711 0.0531 0.9469
0.15 0.85 45.3532 0.0818 0.9182
0.2 0.8 46.6002 0.1120 0.8880
0.25 0.75 47.9178 0.1440 0.8560
0.3 0.7 49.3121 0.1778 0.8222
0.35 0.65 50.7899 0.2136 0.7864
0.4 0.6 52.3590 0.2517 0.7483
0.45 0.55 54.0282 0.2922 0.7078
0.5 0.5 55.8074 0.3354 0.6646
0.55 0.45 57.7076 0.3814 0.6186
0.6 0.4 59.7419 0.4308 0.5692
0.65 0.35 61.9248 0.4837 0.5163
0.7 0.3 64.2733 0.5407 0.4593
0.75 0.25 66.8069 0.6022 0.3978
0.8 0.2 69.5485 0.6687 0.3313
0.85 0.15 72.5247 0.7409 0.2591
0.9 0.1 75.7670 0.8195 0.1805
0.95 0.05 79.3129 0.9055 0.0945
1 0 83.2069 1 0

Pxy vs xA and yA in T = 75°C (Dewpoint Line


Method)
90.0000

80.0000
Pxy (kPa)

70.0000

60.0000

50.0000

40.0000
0 0.2 0.4 0.6 0.8 1
xA, yA (fraction)

Bubble Point(Pxy vs xA) Dew Point (Pxy vs yA)

b) For estimating Txy, we need iterative procedures from initial guess of temperature Txy (in
this case: for all xi, initial guess Txy = 80°C, so we can calculate the Pisat from that on each xi
(xA and xN) or yi (yA and yN) for estimating the calculated total pressure of the system. After

Page | 3
Homework #8 – PETE 649 – Advanced Fluid Properties – 171 Term
Nur Iman Khamidy – 201703210 – PhD Student, PETE Dept, CPG, KFUPM

that, we need to calculate the relative error between the calculated and the data of total
pressure for each xi or yi, evaluate the summation of all the relative errors in this case and
geometric mean of them by changing the Txy temperature of each xi or yi until reaching their
minimum values on Microsoft Office Excel Solver. Similar to the previous sub-question,
there are two methods to estimate Pxy at saturation of the binary system (Acetonitrile-
Nitromethane) using Raoult’s Law, as per following below:
(1) Bubble Point Line Method
(a) Calculation Flowchart

(b) Equations to be used


𝐵𝑖
𝑃𝑖𝑠𝑎𝑡 = exp (𝐴𝑖 − )
𝑇 + 𝐶𝑖
𝑃𝑐𝑎𝑙𝑐𝑢𝑙𝑎𝑡𝑒𝑑 = ∑ 𝑥𝑖 𝑃𝑖𝑠𝑎𝑡
|𝑃𝑐𝑎𝑙𝑐𝑢𝑙𝑎𝑡𝑒𝑑 − 𝑃|
𝜖𝑟𝑒𝑙𝑎𝑡𝑖𝑣𝑒,𝑖 =
𝑃
𝜖𝑟𝑒𝑙𝑎𝑡𝑖𝑣𝑒,𝑔𝑒𝑜𝑚𝑒𝑡𝑟𝑖𝑐 = 𝑛√𝜖𝑟𝑒𝑙𝑎𝑡𝑖𝑣𝑒,1 𝜖𝑟𝑒𝑙𝑎𝑡𝑖𝑣𝑒,2 … 𝜖𝑟𝑒𝑙𝑎𝑡𝑖𝑣𝑒,𝑛
𝑥𝑖 𝑃𝑖𝑠𝑎𝑡
𝑦𝑖 =
𝑃
(c) Results
Case (b) Line Type Σϵ_rel_P gm_ϵ_rel_P
P, kPa Bubble Point 1.5626E-04 3.3950E-06
70 Dew Point 3.7462E-04 8.4812E-06
Case (b): find Txy
Bubble Point Line Method
xA xN T, °C Psat A, kPa Psat N, kPa P_calc, kPa ϵ_rel_P yA yN
0 1 89.5836 131.5604 70.0000 70.0000 1.4254E-08 0 1
0.05 0.95 88.2864 126.5263 67.0243 69.9994 9.0266E-06 0.0904 0.9096
0.1 0.9 87.0321 121.8039 64.2438 69.9998 2.5003E-06 0.1740 0.8260
0.15 0.85 85.8184 117.3680 61.6422 70.0011 1.5934E-05 0.2515 0.7485
0.2 0.8 84.6421 113.1914 59.2020 69.9999 1.5585E-06 0.3234 0.6766
0.25 0.75 83.5030 109.2598 56.9135 70.0001 8.9246E-07 0.3902 0.6098
0.3 0.7 82.3986 105.5521 54.7631 69.9998 2.7853E-06 0.4524 0.5476
0.35 0.65 81.3274 102.0513 52.7401 69.9990 1.4110E-05 0.5103 0.4897
0.4 0.6 80.2886 98.7453 50.8363 69.9999 1.8762E-06 0.5643 0.4357
0.45 0.55 79.2791 95.6144 49.0395 69.9982 2.5644E-05 0.6147 0.3853
0.5 0.5 78.3001 92.6538 47.3463 70.0000 7.1286E-07 0.6618 0.3382
0.55 0.45 77.3479 89.8447 45.7450 69.9998 2.5921E-06 0.7059 0.2941
0.6 0.4 76.4223 87.1793 44.2306 69.9998 2.5169E-06 0.7473 0.2527
0.65 0.35 75.5220 84.6477 42.7967 69.9998 2.5630E-06 0.7860 0.2140
0.7 0.3 74.6463 82.2417 41.4383 70.0007 9.6222E-06 0.8224 0.1776
0.75 0.25 73.7933 79.9509 40.1489 70.0004 5.5969E-06 0.8566 0.1434
0.8 0.2 72.9625 77.7688 38.9244 69.9999 1.7028E-06 0.8888 0.1112
0.85 0.15 72.1523 75.6869 37.7596 69.9978 3.1756E-05 0.9191 0.0809
0.9 0.1 71.3647 73.7060 36.6546 70.0009 1.2871E-05 0.9476 0.0524
0.95 0.05 70.5948 71.8098 35.5998 69.9993 9.5410E-06 0.9746 0.0254
1 0 69.8445 69.9998 34.5959 69.9998 2.4449E-06 1 0

Page | 4
Homework #8 – PETE 649 – Advanced Fluid Properties – 171 Term
Nur Iman Khamidy – 201703210 – PhD Student, PETE Dept, CPG, KFUPM

Txy vs xA and yA in P = 70 kPa (Bubblepoint Line Method)


90.0000
85.0000

Txy (°C)
80.0000
75.0000
70.0000
65.0000
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
xA, yA (fraction)

Dew Point (Txy vs yA) Bubble Point (Txy vs xA)

(2) Dew Point Line Method


(a) Calculation Flowchart

ϵrelative,i ; Σϵrelative,i ; Bubblepoint Line: xA vs P;


Txy initial guess Pisat ; yi /Pisat ; P Txy (convergence) and xi
geometric mean ϵrelative Dewpoint Line: yA vs P

(b) Equations to be used


𝐵𝑖
𝑃𝑖𝑠𝑎𝑡 = exp (𝐴𝑖 −
)
𝑇 + 𝐶𝑖
1
𝑃𝑐𝑎𝑙𝑐𝑢𝑙𝑎𝑡𝑒𝑑 = ∑
𝑦𝑖 /𝑃𝑖𝑠𝑎𝑡
|𝑃𝑐𝑎𝑙𝑐𝑢𝑙𝑎𝑡𝑒𝑑 − 𝑃|
𝜖𝑟𝑒𝑙𝑎𝑡𝑖𝑣𝑒,𝑖 =
𝑃
𝜖𝑟𝑒𝑙𝑎𝑡𝑖𝑣𝑒,𝑔𝑒𝑜𝑚𝑒𝑡𝑟𝑖𝑐 = 𝑛√𝜖𝑟𝑒𝑙𝑎𝑡𝑖𝑣𝑒,1 𝜖𝑟𝑒𝑙𝑎𝑡𝑖𝑣𝑒,2 … 𝜖𝑟𝑒𝑙𝑎𝑡𝑖𝑣𝑒,𝑛
𝑦𝑖 𝑃
𝑦𝑖 = 𝑠𝑎𝑡
𝑃𝑖
(c) Results

Case (b): find Txy


Dew Point Line Method
yA yN T, °C Psat A, kPa Psat N, kPa P_calc, kPa ϵ_rel_P xA xN
0 1 89.583594 131.5603918 70.0000 70.0000 1.2240E-07 0 1
0.05 0.95 88.872528 128.7816937 68.3560 69.9982 2.5994E-05 0.0272 0.9728
0.1 0.9 88.145448 125.9884203 66.7070 70.0008 1.1112E-05 0.0556 0.9444
0.15 0.85 87.39797 123.1667802 65.0451 70.0000 4.1251E-07 0.0853 0.9147
0.2 0.8 86.630455 120.3215969 63.3734 69.9995 6.8069E-06 0.1164 0.8836
0.25 0.75 85.842238 117.4539111 61.6925 70.0007 1.0616E-05 0.1490 0.8510
0.3 0.7 85.031156 114.5596492 60.0004 70.0020 2.7939E-05 0.1833 0.8167
0.35 0.65 84.193698 111.6307046 58.2925 69.9986 1.9907E-05 0.2195 0.7805
0.4 0.6 83.331837 108.6785603 56.5758 69.9995 6.8740E-06 0.2576 0.7424
0.45 0.55 82.441366 105.6936624 54.8451 69.9994 8.3682E-06 0.2980 0.7020
0.5 0.5 81.520642 102.6760026 53.1005 69.9996 5.0723E-06 0.3409 0.6591
0.55 0.45 80.566983 99.62280694 51.3410 69.9998 2.9847E-06 0.3865 0.6135
0.6 0.4 79.577037 96.53006675 49.5644 69.9986 1.9402E-05 0.4351 0.5649
0.65 0.35 78.549835 93.40201915 47.7737 70.0017 2.3667E-05 0.4871 0.5129
0.7 0.3 77.477921 90.22424039 45.9610 70.0000 2.7029E-07 0.5431 0.4569
0.75 0.25 76.361538 87.00665818 44.1326 70.0046 6.5694E-05 0.6034 0.3966
0.8 0.2 75.189577 83.72785826 42.2769 70.0011 1.6107E-05 0.6688 0.3312
0.85 0.15 73.961504 80.39849764 40.4005 70.0027 3.8790E-05 0.7401 0.2599
0.9 0.1 72.666547 77.00308168 38.4956 70.0008 1.1980E-05 0.8181 0.1819
0.95 0.05 71.299418 73.54370463 36.5642 70.0038 5.3692E-05 0.9042 0.0958
1 0 69.84402 69.99868369 34.5952 69.9987 1.8804E-05 1 0

Page | 5
Homework #8 – PETE 649 – Advanced Fluid Properties – 171 Term
Nur Iman Khamidy – 201703210 – PhD Student, PETE Dept, CPG, KFUPM

Txy vs xA and yA in P = 70 kPa (Dewpoint Line Method)


90
85

Txy (°C)
80
75
70
65
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
xA, yA (fraction)

Dew Point (Txy vs yA) Bubble Point (Txy vs xA)

Q2: for a binary system of methanol/acetate, use the modified Raoult's law
(yiP=xiγiPisat) to calculate:
a) Pressure (P) and mole fraction (yi) at T=318.15K and xi=0.25
b) Pressure (P) and mole fraction (xi) at T=318.15K and yi=0.60
c) Temperature (T) and mole fraction (yi) at P=101.33 kPa and xi =0.85
d) Temperature (T) and mole fraction (xi) at P=101.33 kPa and yi =0.40
Note the Antoine's Equation and activity coefficients are given by:

Answer:

Case a γ1 1.0378 1.0378 1.3544E-09


T, K 318.15 γ2 2.0937 2.0937 3.5721E-07
x1 0.25 P, kPa 62.8806 Σϵ_rel_γi 3.5857E-07
x2 0.75 x1 0.8170 gm_ϵ_rel_γi 2.1996E-08
A 1.1071 x2 0.1830 hm_ϵ_rel_γi 2.6986E-09
P1sat, kPa 44.4989
P2sat, kPa 65.6415
Case c
γ1 1.8640
P, kPa 101.33
γ2 3.8839
x1 0.85
P, kPa 211.9471
x2 0.15
y1 0.0978
T, K 331.2055
y2 0.9022
A 1.0388
P1sat, kPa 77.9829
Case b P2sat, kPa 105.3664
T, K 318.15 γ1 1.0236
y1 0.6 γ2 2.1181
y2 0.4 P_Calc, kPa 101.33
A 1.1071 1.7813E-
P1sat, kPa 44.4989 Iterative ϵ_rel_P 06
P2sat, kPa 65.6415 New ϵ_rel_γi

Page | 6
Homework #8 – PETE 649 – Advanced Fluid Properties – 171 Term
Nur Iman Khamidy – 201703210 – PhD Student, PETE Dept, CPG, KFUPM

Case d γ1 1.3626 1.3626 2.7819E-08


y1 0.4 γ2 1.2525 1.2525 1.9667E-06
y2 0.6 P, kPa 101.33 101.33 1.6179E-06
A 1.0624 x1 0.4603 Σϵ_rel_P_γi 3.6124E-06
sat
P1 , kPa 64.6190 x2 0.5397 gm_ϵ_rel_P_γi 4.4567E-07
sat
P2 , kPa 89.9475 Iterative hm_ϵ_rel_P_γi 8.0920E-08
T, K 326.7 New ϵ_rel_P_γi
Calculation Flowchart:
Following the previous number calculation flowchart with adding the iterative procedure to estimate
the pressure P in case c, activity coefficient γ for each phase in case b and d, and temperature in case d.
Equations to be used:
All of the equations as per stated in question sheet and adding several definition of relative error as per
stated in previous number answer procedure.

Page | 7

Potrebbero piacerti anche