Q2.

a)

Density(mol/L)vs Pressure(MPa):
Carbon dioxide at 50 C
25

20
Pressure(MPa)

15
NIST
10 VDW
SRK
5

0
0 2 4 6 8 10 12 14 16
Density(mol/L)

- From the graph we can see that neither the Van der Waals or Souve-Redlich-Kwong EOS are
accurate within 1% over the range specified.

b)

Pressure(MPa) vs Density(mol/m3):
Methane at -100 C
2500

2000
Density(mol/m3)

1500

NIST
1000
SRK
500

0
0 0.5 1 1.5 2 2.5
Pressure(MPA)

The SRK EOS and NIST have good agreement over the entire density range.
 Van der walls SRK
R 8.314 J/mol.K Accentric 0.22394
a 0.36525 Pa.m^6/mol^2 b 2.97E-05
b 4.28218E-05 m^3/mol Kappa 0.823655
sqrt(alpha(T))
0.97462
alpha(T) 0.949885
a(T) 0.351556

SRK (Van der Waals) 323

Temperature Pressure Volume Volume
Density (mol/l)
P(Pa) P(Mpa) P (Pa) P(Mpa) (C) (MPa) (l/mol) (m3/mol)
99950.81 0.099951 99980.5401 0.099981 50 0.1 0.037361 26.766 0.026766

199902.7 0.199903 200020.909 0.200021 50 0.2 0.075009 13.332 0.013332

299871.1 0.299871 300135.377 0.300135 50 0.3 0.11295 8.8534 0.0088534

399844.6 0.399845 400311.252 0.400311 50 0.4 0.15119 6.6141 0.0066141

499829.3 0.499829 500553.572 0.500554 50 0.5 0.18974 5.2704 0.0052704

599813.7 0.599814 600849.312 0.600849 50 0.6 0.22859 4.3746 0.0043746

699818.7 0.699819 701218.125 0.701218 50 0.7 0.26776 3.7346 0.0037346

799820.4 0.79982 801634.691 0.801635 50 0.8 0.30726 3.2546 0.0032546

899833.7 0.899834 902112.352 0.902112 50 0.9 0.34708 2.8812 0.0028812

999867.2 0.999867 1002658.3 1.002658 50 1 0.38724 2.5824 0.0025824

1099904 1.099904 1103253.75 1.103254 50 1.1 0.42774 2.3379 0.0023379

1199955 1.199955 1203908.11 1.203908 50 1.2 0.46859 2.1341 0.0021341

1300026 1.300026 1304625.37 1.304625 50 1.3 0.5098 1.9616 0.0019616

1400114 1.400114 1405400.34 1.4054 50 1.4 0.55137 1.8137 0.0018137

1500202 1.500202 1506214.82 1.506215 50 1.5 0.59331 1.6855 0.0016855

1600390 1.60039 1607165.79 1.607166 50 1.6 0.63563 1.5732 0.0015732

1700471 1.700471 1708044.3 1.708044 50 1.7 0.67834 1.4742 0.0014742

1800643 1.800643 1809047.21 1.809047 50 1.8 0.72144 1.3861 0.0013861

1900757 1.900757 1910021.97 1.910022 50 1.9 0.76495 1.3073 0.0013073

2000958 2.000958 2011110.99 2.011111 50 2 0.80888 1.2363 0.0012363

2101232 2.101232 2112299.03 2.112299 50 2.1 0.85323 1.172 0.001172

2201382 2.201382 2213384.71 2.213385 50 2.2 0.89801 1.1136 0.0011136

2301644 2.301644 2314602.81 2.314603 50 2.3 0.94324 1.0602 0.0010602

2401977 2.401977 2415909.02 2.415909 50 2.4 0.98892 1.0112 0.0010112

2502253 2.502253 2517170.16 2.51717 50 2.5 1.0351 0.96613 0.00096613

2602576 2.602576 2618489.95 2.61849 50 2.6 1.0817 0.92449 0.00092449

2702921 2.702921 2719837.22 2.719837 50 2.7 1.1288 0.88591 0.00088591

2803320 2.80332 2821242.94 2.821243 50 2.8 1.1764 0.85005 0.00085005

2903710 2.90371 2922638.63 2.922639 50 2.9 1.2245 0.81665 0.00081665

3004167 3.004167 3024096.44 3.024096 50 3 1.2732 0.78544 0.00078544

3104615 3.104615 3125536.59 3.125537 50 3.1 1.3223 0.75623 0.00075623

3205097 3.205097 3226997.82 3.226998 50 3.2 1.3721 0.72882 0.00072882

3305639 3.305639 3328500.85 3.328501 50 3.3 1.4224 0.70304 0.00070304

3406225 3.406225 3430025.84 3.430026 50 3.4 1.4733 0.67875 0.00067875

3506821 3.506821 3531532.31 3.531532 50 3.5 1.5248 0.65583 0.00065583

3607450 3.60745 3633039.51 3.63304 50 3.6 1.5769 0.63416 0.00063416

3708106 3.708106 3734533.44 3.734533 50 3.7 1.6296 0.61364 0.00061364

3808834 3.808834 3836055.06 3.836055 50 3.8 1.683 0.59417 0.00059417

3909575 3.909575 3937538.45 3.937538 50 3.9 1.7371 0.57568 0.00057568

4010365 4.010365 4039011.62 4.039012 50 4 1.7918 0.55809 0.00055809

4111226 4.111226 4140491.86 4.140492 50 4.1 1.8473 0.54133 0.00054133

4212099 4.212099 4241911.37 4.241911 50 4.2 1.9035 0.52535 0.00052535

4313017 4.313017 4343295.78 4.343296 50 4.3 1.9604 0.51009 0.00051009

4413985 4.413985 4444640.85 4.444641 50 4.4 2.0182 0.4955 0.0004955

4514965 4.514965 4545900.79 4.545901 50 4.5 2.0767 0.48154 0.00048154

4616022 4.616022 4647130.21 4.64713 50 4.6 2.136 0.46816 0.00046816

4717178 4.717178 4748341.85 4.748342 50 4.7 2.1963 0.45532 0.00045532

4818317 4.818317 4849409.64 4.84941 50 4.8 2.2574 0.443 0.000443

4919590 4.91959 4950473.1 4.950473 50 4.9 2.3194 0.43115 0.00043115

5020833 5.020833 5051356.7 5.051357 50 5 2.3823 0.41976 0.00041976

5122160 5.12216 5152160.65 5.152161 50 5.1 2.4463 0.40879 0.00040879

5223623 5.223623 5252924.62 5.252925 50 5.2 2.5112 0.39821 0.00039821

5324998 5.324998 5353412.07 5.353412 50 5.3 2.5772 0.38802 0.00038802

5426570 5.42657 5453890.25 5.45389 50 5.4 2.6443 0.37817 0.00037817

5528139 5.528139 5554145.17 5.554145 50 5.5 2.7125 0.36866 0.00036866

5629829 5.629829 5654281.73 5.654282 50 5.6 2.7819 0.35946 0.00035946

5731562 5.731562 5754206 5.754206 50 5.7 2.8525 0.35056 0.00035056

5833265 5.833265 5853826.58 5.853827 50 5.8 2.9244 0.34195 0.00034195

5935115 5.935115 5953297.07 5.953297 50 5.9 2.9976 0.3336 0.0003336

6037069 6.037069 6052553.72 6.052554 50 6 3.0722 0.3255 0.0003255

6139092 6.139092 6151537.21 6.151537 50 6.1 3.1482 0.31764 0.00031764

6241151 6.241151 6250193.08 6.250193 50 6.2 3.2257 0.31001 0.00031001

6343364 6.343364 6348606.53 6.348607 50 6.3 3.3048 0.30259 0.00030259

6445582 6.445582 6446606.4 6.446606 50 6.4 3.3855 0.29538 0.00029538

6547944 6.547944 6544296.01 6.544296 50 6.5 3.4679 0.28836 0.00028836

6650462 6.650462 6641653.58 6.641654 50 6.6 3.5521 0.28152 0.00028152

6753003 6.753003 6738516.39 6.738516 50 6.7 3.6382 0.27486 0.00027486

6855584 6.855584 6834865.75 6.834866 50 6.8 3.7262 0.26837 0.00026837

6958399 6.958399 6930842.24 6.930842 50 6.9 3.8163 0.26203 0.00026203

7061163 7.061163 7026137.07 7.026137 50 7 3.9086 0.25585 0.00025585

7164086 7.164086 7120900.37 7.1209 50 7.1 4.0031 0.24981 0.00024981

7267229 7.267229 7215138 7.215138 50 7.2 4.1 0.2439 0.0002439

7370485 7.370485 7308698.08 7.308698 50 7.3 4.1995 0.23812 0.00023812

7473742 7.473742 7401424.65 7.401425 50 7.4 4.3016 0.23247 0.00023247

7473742 7.473742 7401424.65 7.401425 50 7.4 4.3016 0.23247 0.00023247

7473742 7.473742 7401424.65 7.401425 50 7.4 4.3016 0.23247 0.00023247

7577261 7.577261 7493493.17 7.493493 50 7.5 4.4066 0.22693 0.00022693

7680949 7.680949 7584753.82 7.584754 50 7.6 4.5146 0.2215 0.0002215

7784707 7.784707 7675054.12 7.675054 50 7.7 4.6258 0.21618 0.00021618

7888637 7.888637 7764412.28 7.764412 50 7.8 4.7403 0.21096 0.00021096

7992855 7.992855 7852851.56 7.852852 50 7.9 4.8584 0.20583 0.00020583

8097284 8.097284 7940226.1 7.940226 50 8 4.9803 0.20079 0.00020079

8201846 8.201846 8026392.32 8.026392 50 8.1 5.1063 0.19584 0.00019584

8306902 8.306902 8111561.17 8.111561 50 8.2 5.2366 0.19096 0.00019096

8412184 8.412184 8195428.87 8.195429 50 8.3 5.3716 0.18616 0.00018616

8517637 8.517637 8277877.34 8.277877 50 8.4 5.5115 0.18144 0.00018144

8623676 8.623676 8359154.66 8.359155 50 8.5 5.6567 0.17678 0.00017678

8730059 8.730059 8439008.5 8.439009 50 8.6 5.8075 0.17219 0.00017219

8837020 8.83702 8517567.89 8.517568 50 8.7 5.9644 0.16766 0.00016766

8944591 8.944591 8594832.54 8.594833 50 8.8 6.1278 0.16319 0.00016319

50 8.9 6.2981 0.15878 0.00015878
 SRK
Accentric 0.001142
b 2.98E-05
Kappa 0.481797
sqrt(alpha(T))
1.022559
alpha(T) 1.045627
a(T) 0.243572

SRK 173
Internal
Temperature Pressure Volume Enthalpy Entropy
Density (mol/m3) Energy Cv (J/mol*K) Cp (J/mol*K)
(C) (MPa) (m3/mol) (kJ/mol) (J/mol*K)
P(Pa) P(Mpa) (kJ/mol)
#VALUE! #VALUE! -100 0 0 infinite 8.9036 10.343 449.43 25.043 33.357

29971.41 0.029971 -100 0.03 20.899 0.04785 8.8957 10.331 98.677 25.074 33.48

59939.85 0.05994 -100 0.06 41.919 0.023856 8.8878 10.319 92.869 25.106 33.604

89909.85 0.08991 -100 0.09 63.063 0.015857 8.8799 10.307 89.451 25.138 33.731

119873.4 0.119873 -100 0.12 84.332 0.011858 8.8719 10.295 87.013 25.171 33.86

149839.8 0.14984 -100 0.15 105.73 0.0094581 8.8639 10.283 85.111 25.204 33.992

179802.3 0.179802 -100 0.18 127.26 0.0078582 8.8558 10.27 83.548 25.238 34.126

209766.9 0.209767 -100 0.21 148.92 0.0067152 8.8476 10.258 82.219 25.272 34.263

239725.7 0.239726 -100 0.24 170.71 0.005858 8.8394 10.245 81.061 25.307 34.402

269688.4 0.269688 -100 0.27 192.64 0.0051911 8.8312 10.233 80.034 25.342 34.544

299651.5 0.299652 -100 0.3 214.71 0.0046575 8.8229 10.22 79.109 25.378 34.689

329611.1 0.329611 -100 0.33 236.91 0.0042209 8.8145 10.207 78.268 25.414 34.836

359570.6 0.359571 -100 0.36 259.27 0.003857 8.8061 10.195 77.495 25.451 34.986

389522.1 0.389522 -100 0.39 281.77 0.0035491 8.7976 10.182 76.78 25.488 35.139

419488.4 0.419488 -100 0.42 304.41 0.003285 8.7891 10.169 76.113 25.526 35.295

449450.5 0.449451 -100 0.45 327.21 0.0030561 8.7805 10.156 75.489 25.564 35.453

479407.4 0.479407 -100 0.48 350.16 0.0028558 8.7718 10.143 74.902 25.603 35.615

509367.5 0.509367 -100 0.51 373.27 0.002679 8.7631 10.129 74.346 25.642 35.78

539327.9 0.539328 -100 0.54 396.54 0.0025218 8.7544 10.116 73.819 25.682 35.949

569290 0.56929 -100 0.57 419.97 0.0023811 8.7455 10.103 73.317 25.722 36.12

599259.9 0.59926 -100 0.6 443.57 0.0022544 8.7366 10.089 72.838 25.762 36.295

629211.4 0.629211 -100 0.63 467.34 0.0021398 8.7277 10.076 72.379 25.804 36.473

659186.5 0.659187 -100 0.66 491.28 0.0020355 8.7186 10.062 71.939 25.845 36.655

689141.4 0.689141 -100 0.69 515.39 0.0019403 8.7095 10.048 71.515 25.888 36.841

719131.2 0.719131 -100 0.72 539.68 0.0018529 8.7004 10.034 71.107 25.93 37.031

749107.2 0.749107 -100 0.75 564.16 0.0017725 8.6911 10.021 70.712 25.974 37.224

779064 0.779064 -100 0.78 588.82 0.0016983 8.6818 10.007 70.331 26.017 37.422

809049.5 0.809049 -100 0.81 613.67 0.0016295 8.6724 9.9924 69.961 26.062 37.623

839028.2 0.839028 -100 0.84 638.72 0.0015656 8.663 9.9781 69.602 26.107 37.829

868995.4 0.868995 -100 0.87 663.97 0.0015061 8.6535 9.9638 69.253 26.152 38.04

898983 0.898983 -100 0.9 689.41 0.0014505 8.6439 9.9493 68.913 26.198 38.255

928946.5 0.928946 -100 0.93 715.07 0.0013985 8.6342 9.9348 68.582 26.245 38.475

958986.1 0.958986 -100 0.96 740.94 0.0013496 8.6244 9.9201 68.26 26.292 38.699

988985.9 0.988986 -100 0.99 767.02 0.0013037 8.6146 9.9053 67.944 26.339 38.929

1018967 1.018967 -100 1.02 793.32 0.0012605 8.6047 9.8904 67.636 26.388 39.165

1048978 1.048978 -100 1.05 819.85 0.0012197 8.5946 9.8754 67.335 26.437 39.405

1078943 1.078943 -100 1.08 846.62 0.0011812 8.5845 9.8602 67.039 26.487 39.652

1108951 1.108951 -100 1.11 873.61 0.0011447 8.5744 9.8449 66.749 26.537 39.904

1138955 1.138955 -100 1.14 900.86 0.0011101 8.5641 9.8295 66.465 26.588 40.163

1169004 1.169004 -100 1.17 928.35 0.0010772 8.5537 9.814 66.186 26.64 40.428

1199073 1.199073 -100 1.2 956.09 0.0010459 8.5433 9.7984 65.912 26.693 40.7

1229043 1.229043 -100 1.23 984.1 0.0010162 8.5327 9.7826 65.642 26.746 40.979

1259126 1.259126 -100 1.26 1012.4 0.00098778 8.522 9.7666 65.376 26.8 41.266

1289174 1.289174 -100 1.29 1040.9 0.00096069 8.5113 9.7506 65.115 26.855 41.56

1319229 1.319229 -100 1.32 1069.8 0.0009348 8.5004 9.7343 64.857 26.911 41.862

1349302 1.349302 -100 1.35 1098.9 0.00091002 8.4894 9.718 64.602 26.968 42.173

1379365 1.379365 -100 1.38 1128.3 0.0008863 8.4783 9.7014 64.351 27.026 42.492

1409446 1.409446 -100 1.41 1158 0.00086355 8.4671 9.6847 64.103 27.085 42.821

1439544 1.439544 -100 1.44 1188.1 0.00084171 8.4558 9.6679 63.858 27.145 43.16

1469637 1.469637 -100 1.47 1218.4 0.00082074 8.4444 9.6509 63.616 27.207 43.509

1499748 1.499748 -100 1.5 1249.1 0.00080057 8.4328 9.6337 63.376 27.269 43.869

1529866 1.529866 -100 1.53 1280.1 0.00078116 8.4211 9.6163 63.139 27.333 44.24

1560001 1.560001 -100 1.56 1311.5 0.00076246 8.4093 9.5987 62.904 27.398 44.623

1590135 1.590135 -100 1.59 1343.3 0.00074444 8.3973 9.581 62.671 27.465 45.019

1620304 1.620304 -100 1.62 1375.4 0.00072704 8.3852 9.563 62.44 27.533 45.428

1650465 1.650465 -100 1.65 1408 0.00071025 8.373 9.5449 62.21 27.603 45.852

1680649 1.680649 -100 1.68 1440.9 0.00069402 8.3606 9.5265 61.983 27.674 46.29
Q2.b)

Cp
a bx10^3 dx10^-5 T2 T1
NH3 3.578 3.02 -0.186 298 1073
O2 3.639 0.506 -0.227 298 1073
NO 3.387 0.629 0.014 1073 298
H2o 3.47 1.45 0.121 1073 298

v deltaH/R
1 NH3 -4332.28 -36018.6
1.25 O2 -3792.53 -31531.1
1 NO 2962.482 24630.08
1.5 H2o 5233.362 43510.17
delta2h -226360 -226360
sum 590.5576
0.590558 kJ/mol
Q4.b)

Enthalpy departure for water at 780K

9
8
7
(H_ig-H)/Tc (cal/mol.K)

6
5
4
3
2
1
0
0 5 10 15 20 25 30 35 40 45 50
Reduced Pressure

Entropy departure for water at 780K

6

5
S_ig--S (cal/mol.K)

0
0 5 10 15 20 25 30 35 40 45 50
Reduced Pressure
 (Hig- S-S*
H (NIST) S(NIST) H)/Tc(cal/mo (cal/mol.
P(Mpa) Pr (kJ/mol) (J/mol.K) l.K) S*(calc) S-S* K)
0 0 63.133 507.75 0 #NUM! #NUM! #NUM!
0.000001 4.53227E-08 63.133 255.27 0 255.27 0 0 Pc 22.064
20 0.906453952 58.792 111.21 1.605835511 115.5013271 -4.29133 1.025652 Tc 646.096
40 1.812907904 53.065 99.53 3.724384227 109.7385014 -10.2085 2.43989
40 1.812907904 53.065 99.53 3.724384227 109.7385014 -10.2085 2.43989
40 1.812907904 53.065 99.53 3.724384227 109.7385014 -10.2085 2.43989
60 2.719361856 47.219 90.093 5.886953773 106.3674645 -16.2745 3.88969
80 3.625815809 43.976 84.735 7.086613889 103.9756758 -19.2407 4.598632
100 4.532269761 42.416 81.774 7.663693686 102.1204603 -20.3465 4.862921
120 5.438723713 41.545 79.807 7.985896572 100.6046389 -20.7976 4.970755
140 6.345177665 41.012 78.337 8.183065503 99.32303012 -20.986 5.015782
160 7.251631617 40.674 77.159 8.308099459 98.21285012 -21.0539 5.031991
180 8.158085569 40.459 76.173 8.387632892 97.23360196 -21.0606 5.033605
200 9.064539521 40.331 75.322 8.434983029 96.35763464 -21.0356 5.027637
220 9.970993474 40.265 74.572 8.459397944 95.5652258 -20.9932 5.017501
240 10.87744743 40.246 73.9 8.46642648 94.84181321 -20.9418 5.005213
260 11.78390138 40.264 73.29 8.459767867 94.17633814 -20.8863 4.991955
280 12.69035533 40.311 72.731 8.442381488 93.56020446 -20.8292 4.978299
300 13.59680928 40.382 72.214 8.416116959 92.98659773 -20.7726 4.96477
320 14.50326323 40.474 71.733 8.382084048 92.45002446 -20.717 4.951488 Entropy departure for wat
340 15.40971719 40.582 71.283 8.34213237 91.94599136 -20.663 4.938573 6
360 16.31617114 40.704 70.86 8.29700177 91.4707763 -20.6108 4.926094
380 17.22262509 40.838 70.46 8.247432096 91.02126143 -20.5613 4.914259 5
400 18.12907904 40.983 70.08 8.193793268 90.59480898 -20.5148 4.903157

S_ig--S (cal/mol.K)
420 19.03553299 41.137 69.719 8.136825134 90.18916755 -20.4702 4.892487 4
440 19.94198695 41.299 69.375 8.076897617 89.80240014 -20.4274 4.882266 Enthalpy departure for water at 780
3
460 20.8484409 41.468 69.045 8.014380639 89.43282819 -20.3878 4.8728089
480 21.75489485 41.643 68.729 7.949644123 89.07898755 -20.35 4.8637648
2
500 22.6613488 41.824 68.425 7.88268807 88.73959349 -20.3146 4.855304
7
(H_ig-H)/Tc (cal/mol.K)

520 23.56780276 42.01 68.132 7.813882402 88.41351248 -20.2815 4.847398 1

540 24.47425671 42.201 67.85 7.743227119 88.09973939 -20.2497 4.8398046
560 25.38071066 42.395 67.577 7.671462068 87.7973788 -20.2204 4.8327875 0
580 26.28716461 42.593 67.313 7.598217324 87.50562957 -20.1926 4.8261544 0 5 10 15
600 27.19361856 42.794 67.057 7.523862812 87.22377207 -20.1668 4.819974
3
620 28.10007252 42.999 66.809 7.448028608 86.95115748 -20.1422 4.814091
640 29.00652647 43.206 66.568 7.371454558 86.6871988 -20.1192 4.8086042
660 29.91298042 43.416 66.334 7.293770739 86.43136323 -20.0974 4.8033851
680 30.81943437 43.627 66.105 7.215716997 86.1831657 -20.0782 4.7987970
700 31.72588832 43.841 65.883 7.136553487 85.94216332 -20.0592 4.794255 0 5 10 15 20
720 32.63234228 44.057 65.666 7.05665013 85.70795064 -20.042 4.790141 Reduced Pressure
740 33.53879623 44.275 65.455 6.976006928 85.48015557 -20.0252 4.786127
760 34.44525018 44.494 65.248 6.894993803 85.25843577 -20.0104 4.782609
780 35.35170413 44.715 65.046 6.813240831 85.04247557 -19.9965 4.779272
800 36.25815809 44.937 64.849 6.731117937 84.83198332 -19.983 4.776048
820 37.16461204 45.161 64.655 6.648255197 84.62668894 -19.9717 4.773348
840 38.07106599 45.386 64.466 6.565022534 84.42634189 -19.9603 4.770636
860 38.97751994 45.611 64.28 6.481789871 84.23070934 -19.9507 4.768334
880 39.88397389 45.838 64.099 6.397817362 84.03957448 -19.9406 4.765912
900 40.79042785 46.066 63.92 6.31347493 83.85273516 -19.9327 4.764038
920 41.6968818 46.294 63.745 6.229132499 83.67000253 -19.925 4.76219
940 42.60333575 46.524 63.573 6.144050221 83.49119994 -19.9182 4.760564
960 43.5097897 46.754 63.405 6.058967943 83.31616189 -19.9112 4.758882 Chart Title
980 44.41624365 46.985 63.239 5.973515742 83.14473314 -19.9057 4.757584 0
1000 45.32269761 47.216 63.076 5.888063542 82.97676783 -19.9008 4.756398 0 200 400 600