Embed Size (px)
DESCRIPTION
dd
Citation preview
0.016 0.147 x y 0.0315 0.2505 0 0
0.06 0.3765 0.016 0.147
0.0855 0.43 0.0315 0.2505
0.1465 0.5005 0.06 0.3765
0.206 0.5415 0.0855 0.43
0.236 0.56 0.1465 0.5005
0.3495 0.5945 0.206 0.5415
0.4675 0.641 0.236 0.56
0.4875 0.6425 0.3495 0.5945
0.58 0.689 0.4675 0.641
0.6525 0.725 0.4875 0.6425
0.7 0.7495 0.58 0.689
0.7175 0.768 0.6525 0.725
0.789 0.8111 0.7 0.7495
0.842 0.8488 0.7175 0.768
0.8749 0.8768 0.789 0.8111
0.8967 0.8973 0.842 0.8488
0.9485 0.944 0.8749 0.8768
0.9727 0.9692 0.8967 0.8973
0.9485 0.944
0.9727 0.9692
x y x y x y0 0.00577 0 0 0 0.27341 2.47077 1 1 1 0.8766
x1 [mol/mol]
y1 [mol/mol]
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 10
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1
R N(R+1)1 20.66
1.2 19.7561.4 19.5361.5 19.435
1.52 19.4141.55 19.469
1.6 19.51.8 19.936
2 20.31
0.8 1 1.2 1.4 1.6 1.8 2 2.218.5
19
19.5
20
20.5
21
N(R+1)
N(R+1)
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 10
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1
0.8 1 1.2 1.4 1.6 1.8 2 2.218.5
19
19.5
20
20.5
21
N(R+1)
N(R+1)
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 10
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1
t x y78.3 1 178.1 0.8943 0.894378.4 0.7472 0.781578.7 0.6763 0.738579.3 0.5732 0.684179.7 0.5198 0.659979.8 0.5079 0.656480.7 0.3965 0.612281.5 0.3273 0.582682.3 0.2608 0.55882.7 0.2337 0.544584.1 0.1661 0.508985.3 0.1238 0.470486.7 0.0966 0.4375
89 0.0721 0.389195.5 0.019 0.17100 0 0
x y0 01 1
xd xw f=F/D0.689 0.003937 4.691
R R/R+1 xd/R+1 R+f/R+1 xw(1-f)/R+11.1 0.52381 0.328095 2.757619 -0.00692
x y x y0.15 0.406667 0.003937 0.003937
0.689 0.689 0.15 0.406723
x xcb x-xcb 1/x-xcb0.003937 0 0.003937 254.0005
0.05 0.012 0.038 26.315790.1 0.04 0.06 16.66667
0.15 0.071 0.079 12.658230.2 0.081 0.119 8.403361
0.25 0.098 0.152 6.578947
y = 1
.1
.
R
xx
R
R D
0.3 0.124 0.176 5.6818180.35 0.15 0.2 5
0.4 0.2 0.2 50.45 0.25 0.2 5
0.5 0.329 0.171 5.8479530.55 0.391 0.159 6.289308
0.6 0.414 0.186 5.3763440.65 0.563 0.087 11.49425
0.689 0.585 0.104 9.615385
R N N(R+1) R N N(R+1)R N N(R+1)
0.9 13.90186 26.41353 0.9 7.9 15.011 12.57788 25.15575 1 7.2 14.4
1.05 13.3234 27.31297 1.1 7 14.71.1 13.2079 27.73661.2 12.98586 28.568891.3 12.6323 29.054291.4 12.57788 30.1869
R=1.05x xcb x-xcb 1/x-xcb0.003937 5.00E-04 0.003437 290.9514
0.05 0.0125 0.0375 26.666670.1 0.0415 0.0585 17.094020.2 0.098 0.102 9.8039220.3 0.144 0.156 6.4102560.4 0.228 0.172 5.8139530.5 0.35 0.15 6.6666670.6 0.476 0.124 8.064516
0.689 0.585 0.104 9.615385
t 78.3xy
R=1.3N x xcb x-xcb 1/x-xcb N6.456105 0.003937 5.00E-04 0.003437 290.9514 7.307141.074561 0.05 0.012 0.038 26.31579 1.0745610.733122 0.1 0.04 0.06 16.66667 1.253501
0.52654 0.2 0.081 0.119 8.403361 0.7042590.374558 0.3 0.124 0.176 5.681818 0.5340910.306519 0.4 0.2 0.2 5 0.542398
0.267045 0.5 0.329 0.171 5.847953 0.5612150.25 0.6 0.414 0.186 5.376344 0.6671320.25 0.689 0.585 0.104 9.615385
0.271199 12.64430.3034320.291641
R=1.20.4217650.411638 x xcb x-xcb 1/x-xcb N
0.003937 5.00E-04 0.003437 290.9514 7.31522111.93813 0.05 0.0125 0.0375 26.66667 1.083333
0.1 0.04 0.06 16.66667 1.2681160.2 0.085 0.115 8.695652 0.7315190.3 0.1315 0.1685 5.934718 0.5598940.4 0.21 0.19 5.263158 0.5699060.5 0.337 0.163 6.134969 0.6826880.6 0.467 0.133 7.518797 0.762471
0.689 0.585 0.104 9.61538512.97315
R=1.4x xcb x-xcb 1/x-xcb N0.003937 5.00E-04 0.003437 290.9514 7.291599
0.05 0.011 0.039 25.64103 1.0256410.1 0.035 0.065 15.38462 1.1724570.2 0.076 0.124 8.064516 0.6734960.3 0.115 0.185 5.405405 0.5083660.4 0.19 0.21 4.761905 0.5158730.5 0.32 0.18 5.555556 0.6400970.6 0.462 0.138 7.246377 0.750348
0.689 0.585 0.104 9.61538512.57788
R=1x xcb x-xcb 1/x-xcb N0.003937 5.00E-04 0.003437 290.9514 7.30714
0.05 0.012 0.038 26.31579 1.042510.1 0.035 0.065 15.38462 1.1757350.2 0.077 0.123 8.130081 0.6767740.3 0.115 0.185 5.405405 0.5028280.4 0.185 0.215 4.651163 0.5103360.5 0.32 0.18 5.555556 0.6454250.6 0.464 0.136 7.352941 0.75509
0.689 0.585 0.104 9.615385
12.61584
R=0.9x xcb x-xcb 1/x-xcb mx0.003937 5.00E-04 0.003437 290.9514 7.340811
0.05 0.014 0.036 27.77778 1.148990.1 0.045 0.055 18.18182 1.4772730.2 0.112 0.088 11.36364 0.9253250.3 0.16 0.14 7.142857 0.686090.4 0.248 0.152 6.578947 0.7048870.5 0.367 0.133 7.518797 0.8069740.6 0.484 0.116 8.62069 0.811505
0.689 0.585 0.104 9.615385
13.90186
R=1.05 R=1.1N x xcb x-xcb 1/x-xcb N7.315221 0.003937 5.00E-04 0.003437 290.9514 7.3152211.094017 0.05 0.0125 0.0375 26.66667 1.0903951.344897 0.1 0.041 0.059 16.94915 1.3147470.810709 0.2 0.093 0.107 9.345794 0.777849
0.61121 0.3 0.139 0.161 6.21118 0.5883370.624031 0.4 0.22 0.18 5.555556 0.6045750.736559 0.5 0.347 0.153 6.535948 0.7300230.786756 0.6 0.476 0.124 8.064516 0.786756
0.689 0.585 0.104 9.61538513.3234 13.2079
78.1 78.4 78.7
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 10
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1y
x
A
R=1.1
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 10
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1y
x
A
R=1.1
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 10
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1y
x
A
R=1.1
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 10
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1y
x
A
R=1.1
x t x y1 78.3 1 1
0.8943 78.1 0.8943 0.89430.7472 78.4 0.7472 0.78150.6763 78.7 0.6763 0.73850.5732 79.3 0.5732 0.68410.5198 79.7 0.5198 0.65990.5079 79.8 0.5079 0.65640.3965 80.7 0.3965 0.61220.3273 81.5 0.3273 0.58260.2608 82.3 0.2608 0.5580.2337 82.7 0.2337 0.54450.1661 84.1 0.1661 0.50890.1238 85.3 0.1238 0.47040.0966 86.7 0.0966 0.43750.0721 89 0.0721 0.3891
0.019 95.5 0.019 0.170 100 0 0
x y0 01 1
-0.007266
xd xw f=F/D0.689 0.003937 4.691
R R/R+1 xd/R+1 R+f/R+1 xw(1-f)/R+11 0.5 0.3445 2.8455 -0.0072657335
x y x y0.15 0.4195 0.003937 0.003937
0.689 0.689 0.15 0.419559
x xcb0.003937 0
0.05 0.0120.1 0.04
0.15 0.0710.2 0.081
0.25 0.098
y =
0 0.689 1.3780
20
40
60
80
100
120
t
t
1.1
.
R
xx
R
R D
0.3 0.1240.35 0.15
0.4 0.20.45 0.25
0.5 0.3290.55 0.391
0.6 0.4140.65 0.563
0.689 0.585
R N N(R+1)R N N(R+1)R N N(R+1)
0.9 13.9018556965877 26.41353 0.9 7.9 15.011 12.5778759112732 25.15575 1 7.2 14.4
1.05 13.3233999101017 27.31297 1.1 7 14.71.1 13.2079030338082 27.73661.2 12.9858575497448 28.568891.3 12.6322999080546 29.054291.4 12.5778759112732 30.1869
0.8 0.85 0.9 0.95 1 1.05 1.1 1.1514
14.2
14.4
14.6
14.8
15
15.2
N(R+1)
N(R+1)
R=1.05x xcb0.003937 5.00E-04
0.05 0.01250.1 0.04150.2 0.0980.3 0.1440.4 0.2280.5 0.350.6 0.476
0.689 0.585
R=1.3x-xcb 1/x-xcb N x xcb x-xcb 1/x-xcb N0.003937 254.0005 6.456105 0.003937 5.00E-04 0.003437 290.9514 7.30714
0.038 26.31579 1.074561 0.05 0.012 0.038 26.31579 1.0745610.06 16.66667 0.733122 0.1 0.04 0.06 16.66667 1.253501
0.079 12.65823 0.52654 0.2 0.081 0.119 8.403361 0.7042590.119 8.403361 0.374558 0.3 0.124 0.176 5.681818 0.5340910.152 6.578947 0.306519 0.4 0.2 0.2 5 0.542398
0 0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4 0.45 0.5 0.55 0.6 0.65 0.7 0.75 0.8 0.85 0.9 0.95 1-0.0500000000000003
0.0499999999999998
0.15
0.25
0.35
0.45
0.55
0.65
0.75
0.85
0.95y
x
A
R=1.1
0 0.689 1.3780
20
40
60
80
100
120
t
t
0.176 5.681818 0.267045 0.5 0.329 0.171 5.847953 0.5612150.2 5 0.25 0.6 0.414 0.186 5.376344 0.6671320.2 5 0.25 0.689 0.585 0.104 9.6153850.2 5 0.271199 12.6443
0.171 5.847953 0.3034320.159 6.289308 0.291641
R=1.20.186 5.376344 0.4217650.087 11.49425 0.411638 x xcb x-xcb 1/x-xcb N0.104 9.615385 0.003937 5.00E-04 0.003437 290.9514 7.315221
11.93813 0.05 0.0125 0.0375 26.66667 1.0833330.1 0.04 0.06 16.66667 1.2681160.2 0.085 0.115 8.695652 0.7315190.3 0.1315 0.1685 5.934718 0.5598940.4 0.21 0.19 5.263158 0.5699060.5 0.337 0.163 6.134969 0.6826880.6 0.467 0.133 7.518797 0.762471
0.689 0.585 0.104 9.61538512.97315
R=1.4x xcb x-xcb 1/x-xcb N0.003937 5.00E-04 0.003437 290.9514 7.291599
0.05 0.011 0.039 25.64103 1.0256410.1 0.035 0.065 15.38462 1.1724570.2 0.076 0.124 8.064516 0.6734960.3 0.115 0.185 5.405405 0.5083660.4 0.19 0.21 4.761905 0.5158730.5 0.32 0.18 5.555556 0.6400970.6 0.462 0.138 7.246377 0.750348
0.689 0.585 0.104 9.61538512.57788
R=1x xcb x-xcb 1/x-xcb N0.003937 5.00E-04 0.003437 290.9514 7.30714
0.05 0.012 0.038 26.31579 1.042510.1 0.035 0.065 15.38462 1.1757350.2 0.077 0.123 8.130081 0.6767740.3 0.115 0.185 5.405405 0.5028280.4 0.185 0.215 4.651163 0.5103360.5 0.32 0.18 5.555556 0.6454250.6 0.464 0.136 7.352941 0.75509
0.689 0.585 0.104 9.615385
0.8 0.85 0.9 0.95 1 1.05 1.1 1.1514
14.2
14.4
14.6
14.8
15
15.2
N(R+1)
N(R+1)
12.61584
R=0.9x xcb x-xcb 1/x-xcb mx0.003937 5.00E-04 0.003437 290.9514 7.340811
0.05 0.014 0.036 27.77778 1.148990.1 0.045 0.055 18.18182 1.4772730.2 0.112 0.088 11.36364 0.9253250.3 0.16 0.14 7.142857 0.686090.4 0.248 0.152 6.578947 0.7048870.5 0.367 0.133 7.518797 0.8069740.6 0.484 0.116 8.62069 0.811505
0.689 0.585 0.104 9.615385
13.90186
R=1.05 R=1.1x-xcb 1/x-xcb N x xcb x-xcb 1/x-xcb N0.003437 290.9514 7.315221 0.003937 5.00E-04 0.003437 290.9514 7.315221
0.0375 26.66667 1.094017 0.05 0.0125 0.0375 26.66667 1.0903950.0585 17.09402 1.344897 0.1 0.041 0.059 16.94915 1.314747
0.102 9.803922 0.810709 0.2 0.093 0.107 9.345794 0.7778490.156 6.410256 0.61121 0.3 0.139 0.161 6.21118 0.5883370.172 5.813953 0.624031 0.4 0.22 0.18 5.555556 0.604575
0.15 6.666667 0.736559 0.5 0.347 0.153 6.535948 0.7300230.124 8.064516 0.786756 0.6 0.476 0.124 8.064516 0.7867560.104 9.615385 0.689 0.585 0.104 9.615385
13.3234 13.2079
t 78.3 78.1 78.4 78.7xy
0 0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4 0.45 0.5 0.55 0.6 0.65 0.7 0.75 0.8 0.85 0.9 0.95 1-0.0500000000000003
0.0499999999999998
0.15
0.25
0.35
0.45
0.55
0.65
0.75
0.85
0.95y
x
A
R=1.1
53,1 57,6 61,4 65,4 69,9 75,3 81,8 89,8 100
x y0 0
0.05 0.332 33.2 0.3320.1 0.442 44.2 0.4420.2 0.531 53.1 0.5310.3 0.576 57.6 0.5760.4 0.614 61.4 0.6140.5 0.654 65.4 0.6540.6 0.699 69.9 0.6990.7 0.753 75.3 0.7530.8 0.818 81.8 0.8180.9 0.899 89.9 0.899
1 1 100 1
r xd f r/r+1 xd/r+1 r+f/r+1 1-f/r+1
2.496 0.85 5.724 0.713959 0.243135 2.351259 -1.3512592.723 0.85 5.724 0.731399 0.2283105 2.268869 -1.2688692.9497 0.85 5.724 0.746816 0.2152062 2.19604 -1.196043.023 0.85 5.724 0.751429 0.2112851 2.174248 -1.174248
x y x y x y2.496 0.155 0.3537986 0.0011 0.0011 0 02.723 0.85 0.85 0.155 0.350279 1 12.9497
3.023
x xcb 1/x-xcb denta x0.0019 0 526.3158 0.0981 51.63158
0.1 0.035 15.38462 0.1 1.5384620.2 0.065 7.407407 0.1 0.7407410.3 0.12 5.555556 0.1 0.5555560.4 0.195 4.878049 0.1 0.4878050.5 0.36 7.142857 0.1 0.714286
0 0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4 0.45 0.5 0.55 0.6 0.65 0.7 0.75 0.8 0.85 0.9 0.95 1 1.050
0.05
0.1
0.15
0.2
0.25
0.3
0.35
0.4
0.45
0.5
0.55
0.6
0.65
0.7
0.75
0.8
0.85
0.9
0.95
1
1.05
yx yx yx y
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.90
100
200
300
400
500
600
700
800
900
1000
1/ x-xcb
1/ x-xcb
WxR
fx
R
fR.1
1.1
0.6 0.55 20 0.1 20.7 0.685 66.66667 0.1 6.6666670.8 0.79 100 0.05 5
0.85 0.845 200 69.33509
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.90
100
200
300
400
500
600
700
800
900
1000
1/ x-xcb
1/ x-xcb
xw xd x xcb x-xcb 1/ x-xcb0.0011 0.85 0.0011 0 0.0011 909.0909
0.05 0.016 0.034 29.411760.1 0.032 0.068 14.705880.2 0.065 0.135 7.4074070.3 0.112 0.188 5.319149
0 0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4 0.45 0.5 0.55 0.6 0.65 0.7 0.75 0.8 0.85 0.9 0.95 1 1.050
0.05
0.1
0.15
0.2
0.25
0.3
0.35
0.4
0.45
0.5
0.55
0.6
0.65
0.7
0.75
0.8
0.85
0.9
0.95
1
1.05
yx yx yx y
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.90
100
200
300
400
500
600
700
800
900
1000
1/ x-xcb
1/ x-xcb
0.4 0.196 0.204 4.9019610.5 0.361 0.139 7.1942450.6 0.54 0.06 16.666670.7 0.684 0.016 62.50.8 0.796 0.004 250
0.85 0.841 0.009 111.1111
s1 30.93379 s1021.50816 1.102941 s21.438235 1.105664 s330.93379 0.636328 s4
0.511055 s50.60481 s6
1.193046 s73.958333 s8
15.625 s99.027778 s1064.69874
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.90
100
200
300
400
500
600
700
800
900
1000
1/ x-xcb
1/ x-xcb
0 0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4 0.45 0.5 0.55 0.6 0.65 0.7 0.75 0.8 0.85 0.9 0.95 1 1.050
0.05
0.1
0.15
0.2
0.25
0.3
0.35
0.4
0.45
0.5
0.55
0.6
0.65
0.7
0.75
0.8
0.85
0.9
0.95
1
1.05
yx yx yx y
0 0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4 0.45 0.5 0.55 0.6 0.65 0.7 0.75 0.8 0.85 0.9 0.95 1 1.050
0.05
0.1
0.15
0.2
0.25
0.3
0.35
0.4
0.45
0.5
0.55
0.6
0.65
0.7
0.75
0.8
0.85
0.9
0.95
1
1.05
yx yx yx y
0 0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4 0.45 0.5 0.55 0.6 0.65 0.7 0.75 0.8 0.85 0.9 0.95 1 1.050
0.05
0.1
0.15
0.2
0.25
0.3
0.35
0.4
0.45
0.5
0.55
0.6
0.65
0.7
0.75
0.8
0.85
0.9
0.95
1
1.05
yx yx yx y
x y0 0
0.05 0.3320.1 0.4420.2 0.5310.3 0.5760.4 0.6140.5 0.6540.6 0.6990.7 0.7530.8 0.8180.9 0.899
1 1
x y0 01 1
xd xw f=F/D0.689 0.003937 4.691
R R/R+1 xd/R+1 R+f/R+1 xw(1-f)/R+11.4206 0.586879 0.28464 2.524829 -0.006003
x y x y0.15 0.372672 0.003937 0.003937
0.689 0.689 0.15 0.372721
0 0.2 0.4 0.6 0.8 1 1.20
0.2
0.4
0.6
0.8
1
1.2
yx yx yx y
0 0.2 0.4 0.6 0.8 1 1.20
0.2
0.4
0.6
0.8
1
1.2
yx yx yx y
0 0.2 0.4 0.6 0.8 1 1.20
0.2
0.4
0.6
0.8
1
1.2
yx yx yx y
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