Chem. J. Chinese Universities ›› 2021, Vol. 42 ›› Issue (8): 2617.doi: 10.7503/cjcu20210178
• Polymer Chemistry • Previous Articles Next Articles
HUANG Congcong1,2, ZHANG Baoqing1,2, LIU Chenyang1,2()
Received:
2021-03-16
Online:
2021-08-10
Published:
2021-08-05
Contact:
LIU Chenyang
E-mail:liucy@iccas.ac.cn
Supported by:
CLC Number:
TrendMD:
HUANG Congcong, ZHANG Baoqing, LIU Chenyang. Predicting the Glass Transition Temperature of Polyimides: Group Additive Property Method and Assigning the Group Contributions to Unknown Groups[J]. Chem. J. Chinese Universities, 2021, 42(8): 2617.
Group | Characteristic | Yg* | Mi | yg,i | Corrected yg,i | Corrected Yg,i |
---|---|---|---|---|---|---|
—CH2— | in main chains | 2.7 | 14.0 | 0.193 | 0.167 | 2.3 |
cis | 19.0 | 82.1 | 0.231 | 0.202 | 16.6 | |
trans | 27.0 | 82.1 | 0.329 | 0.298 | 24.5 | |
35.0 | 90.1 | 0.388 | 0.359 | 32.3 | ||
ss | 26.0 | 42.1 | 0.618 | 0.615 | 25.9 | |
—O— | 4.0 | 16.0 | 0.250 | 0.220 | 3.5 | |
—S— | 8.0 | 32.1 | 0.249 | 0.220 | 7.0 | |
c | 15.5 | 28.0 | 0.554 | 0.540 | 15.1 | |
cc | 19.0 | 28.0 | 0.679 | 0.688 | 19.3 | |
n | 32.5 | 64.1 | 0.507 | 0.487 | 31.2 | |
c | 36.0 | 64.1 | 0.562 | 0.549 | 35.2 | |
cc | 40.0 | 64.1 | 0.624 | 0.622 | 39.9 | |
n | 29.5 | 76.1 | 0.388 | 0.371 | 28.2 | |
c | 35.0 | 76.1 | 0.460 | 0.435 | 33.1 | |
cc | 41.0 | 76.1 | 0.539 | 0.523 | 39.8 | |
n | 25.0 | 76.1 | 0.329 | 0.298 | 22.7 | |
c | 39.0 | 76.1 | 0.512 | 0.493 | 32.0 | |
cc | 34.0 | 76.1 | 0.447 | 0.421 | 37.5 | |
c | 95.0 | 145.1 | 0.655 | 0.659 | 95.6 | |
175.0 | 214.1 | 0.817 | 0.863 | 184.7 | ||
c | 13.5 | 44.0 | 0.307 | 0.272 | 12.0 | |
cc | 15.0 | 44.0 | 0.341 | 0.307 | 13.5 | |
c | 21.5 | 43.0 | 0.500 | 0.479 | 20.6 | |
cc | 30.0 | 43.0 | 0.698 | 0.720 | 30.9 | |
—CH=== CH— | trans | 7.4 | 26.0 | 0.285 | 0.251 | 6.5 |
65.0 | 166.2 | 0.391 | 0.362 | 60.1 | ||
87.0 | 194.3 | 0.448 | 0.422 | 82.0 | ||
Group | Characteristic | Yg* | Mi | yg,i | Corrected yg,i | Corrected Yg,i |
137.0 | 312.3 | 0.439 | 0.413 | 128.8 | ||
35.0 | 104.1 | 0.336 | 0.314 | 32.7 | ||
37.4 | 108.1 | 0.346 | 0.315 | 34.1 | ||
70.0 | 152.2 | 0.460 | 0.435 | 66.2 | ||
84.0 | 180.2 | 0.466 | 0.442 | 79.6 | ||
67.0 | 168.2 | 0.398 | 0.369 | 62.1 | ||
104.0 | 260.2 | 0.400 | 0.371 | 96.5 | ||
72.0 | 184.2 | 0.391 | 0.362 | 66.6 | ||
111.0 | 216.3 | 0.513 | 0.494 | 106.8 |
Group | Characteristic | Yg* | Mi | yg,i | Corrected yg,i | Corrected Yg,i |
---|---|---|---|---|---|---|
—CH2— | in main chains | 2.7 | 14.0 | 0.193 | 0.167 | 2.3 |
cis | 19.0 | 82.1 | 0.231 | 0.202 | 16.6 | |
trans | 27.0 | 82.1 | 0.329 | 0.298 | 24.5 | |
35.0 | 90.1 | 0.388 | 0.359 | 32.3 | ||
ss | 26.0 | 42.1 | 0.618 | 0.615 | 25.9 | |
—O— | 4.0 | 16.0 | 0.250 | 0.220 | 3.5 | |
—S— | 8.0 | 32.1 | 0.249 | 0.220 | 7.0 | |
c | 15.5 | 28.0 | 0.554 | 0.540 | 15.1 | |
cc | 19.0 | 28.0 | 0.679 | 0.688 | 19.3 | |
n | 32.5 | 64.1 | 0.507 | 0.487 | 31.2 | |
c | 36.0 | 64.1 | 0.562 | 0.549 | 35.2 | |
cc | 40.0 | 64.1 | 0.624 | 0.622 | 39.9 | |
n | 29.5 | 76.1 | 0.388 | 0.371 | 28.2 | |
c | 35.0 | 76.1 | 0.460 | 0.435 | 33.1 | |
cc | 41.0 | 76.1 | 0.539 | 0.523 | 39.8 | |
n | 25.0 | 76.1 | 0.329 | 0.298 | 22.7 | |
c | 39.0 | 76.1 | 0.512 | 0.493 | 32.0 | |
cc | 34.0 | 76.1 | 0.447 | 0.421 | 37.5 | |
c | 95.0 | 145.1 | 0.655 | 0.659 | 95.6 | |
175.0 | 214.1 | 0.817 | 0.863 | 184.7 | ||
c | 13.5 | 44.0 | 0.307 | 0.272 | 12.0 | |
cc | 15.0 | 44.0 | 0.341 | 0.307 | 13.5 | |
c | 21.5 | 43.0 | 0.500 | 0.479 | 20.6 | |
cc | 30.0 | 43.0 | 0.698 | 0.720 | 30.9 | |
—CH=== CH— | trans | 7.4 | 26.0 | 0.285 | 0.251 | 6.5 |
65.0 | 166.2 | 0.391 | 0.362 | 60.1 | ||
87.0 | 194.3 | 0.448 | 0.422 | 82.0 | ||
Group | Characteristic | Yg* | Mi | yg,i | Corrected yg,i | Corrected Yg,i |
137.0 | 312.3 | 0.439 | 0.413 | 128.8 | ||
35.0 | 104.1 | 0.336 | 0.314 | 32.7 | ||
37.4 | 108.1 | 0.346 | 0.315 | 34.1 | ||
70.0 | 152.2 | 0.460 | 0.435 | 66.2 | ||
84.0 | 180.2 | 0.466 | 0.442 | 79.6 | ||
67.0 | 168.2 | 0.398 | 0.369 | 62.1 | ||
104.0 | 260.2 | 0.400 | 0.371 | 96.5 | ||
72.0 | 184.2 | 0.391 | 0.362 | 66.6 | ||
111.0 | 216.3 | 0.513 | 0.494 | 106.8 |
Ar | Structure | Tg,exp*/K | Yg,cal | Tg,cal | ΔTgb/K |
---|---|---|---|---|---|
PDA | 584 | 275 | 591 | -7 | |
25DAT | 591 | 278 | 585 | 6 | |
4,4'?DDM | 559 | 295 | 557 | 2 | |
ASD | 553 | 299 | 551 | 2 | |
1,4,4?APB | 538 | 314 | 533 | 5 | |
1,3?BABB | 509 | 348 | 507 | 2 | |
1,3,3?APB | 479 | 336 | 502 | -23 | |
3,3'?ODA | 517 | 308 | 536 | -19 | |
m?PDA | 548 | 279 | 582 | -34 | |
4,4'?ODA | 565 | 294 | 558 | 7 | |
4,4'?DDS | 579 | 278 | 585 | -6 | |
1,3,4?APB | 505 | 327 | 515 | -10 | |
BAPB | 550 | 328 | 520 | 30 | |
BAPP | 518 | 337 | 513 | 5 | |
4,4'?BAPS | 551 | 325 | 529 | 22 |
Ar | Structure | Tg,exp*/K | Yg,cal | Tg,cal | ΔTgb/K |
---|---|---|---|---|---|
PDA | 584 | 275 | 591 | -7 | |
25DAT | 591 | 278 | 585 | 6 | |
4,4'?DDM | 559 | 295 | 557 | 2 | |
ASD | 553 | 299 | 551 | 2 | |
1,4,4?APB | 538 | 314 | 533 | 5 | |
1,3?BABB | 509 | 348 | 507 | 2 | |
1,3,3?APB | 479 | 336 | 502 | -23 | |
3,3'?ODA | 517 | 308 | 536 | -19 | |
m?PDA | 548 | 279 | 582 | -34 | |
4,4'?ODA | 565 | 294 | 558 | 7 | |
4,4'?DDS | 579 | 278 | 585 | -6 | |
1,3,4?APB | 505 | 327 | 515 | -10 | |
BAPB | 550 | 328 | 520 | 30 | |
BAPP | 518 | 337 | 513 | 5 | |
4,4'?BAPS | 551 | 325 | 529 | 22 |
Group | Stucture | Mi | Assigned Yg |
---|---|---|---|
6FDA[ | 440.3 | 278.6 | |
3,3'?ODPA[ | 306.3 | 190.7 | |
3,4'?ODPA[ | 306.3 | 193.0 | |
3,3'?TDPA[ | 322.4 | 215.2 | |
3,4'?TDPA[ | 322.4 | 211.3 | |
2,3,6,7?NDTA[ | 264.3 | 240.7 | |
1,4,5,8?NDTA[ | 264.3 | 265.4 | |
1,5?Pyridyl[ | 77.2 | 30.2 | |
1,5?Naphthyl[ | 126.2 | 50.0 | |
1,1'?Binaphthyl[ | 252.4 | 146.8 | |
2, 3?Naphthyl[ | 126.2 | 61.3 | |
1,2?Phenyl[ | 76.2 | 29.3 | |
2,5?Trifluoromethyl phenyl[ | 144.2 | 76.8 |
Group | Stucture | Mi | Assigned Yg |
---|---|---|---|
6FDA[ | 440.3 | 278.6 | |
3,3'?ODPA[ | 306.3 | 190.7 | |
3,4'?ODPA[ | 306.3 | 193.0 | |
3,3'?TDPA[ | 322.4 | 215.2 | |
3,4'?TDPA[ | 322.4 | 211.3 | |
2,3,6,7?NDTA[ | 264.3 | 240.7 | |
1,4,5,8?NDTA[ | 264.3 | 265.4 | |
1,5?Pyridyl[ | 77.2 | 30.2 | |
1,5?Naphthyl[ | 126.2 | 50.0 | |
1,1'?Binaphthyl[ | 252.4 | 146.8 | |
2, 3?Naphthyl[ | 126.2 | 61.3 | |
1,2?Phenyl[ | 76.2 | 29.3 | |
2,5?Trifluoromethyl phenyl[ | 144.2 | 76.8 |
Polyimide | Tg,exp./K | Yg,cal. | Tg,cal./K | ?Tgb/K |
---|---|---|---|---|
1 | 498 | 52.5 | 492 | 6 |
2 | 488 | 42.0 | 507 | -19 |
3 | 453 | 44.4 | 473 | -20 |
4 | 491 | 59.1 | 468 | 23 |
5 | 450 | 42.0 | 467 | -17 |
6 | 491 | 46.9 | 501 | -10 |
7 | 475 | 43.4 | 489 | -14 |
8 | 480 | 45.3 | 490 | -10 |
9 | 488 | 55.7 | 468 | 20 |
10 | 533 | 59.8 | 514 | 19 |
11 | 513 | 57.6 | 500 | 13 |
Polyimide | Tg,exp./K | Yg,cal. | Tg,cal./K | ?Tgb/K |
---|---|---|---|---|
1 | 498 | 52.5 | 492 | 6 |
2 | 488 | 42.0 | 507 | -19 |
3 | 453 | 44.4 | 473 | -20 |
4 | 491 | 59.1 | 468 | 23 |
5 | 450 | 42.0 | 467 | -17 |
6 | 491 | 46.9 | 501 | -10 |
7 | 475 | 43.4 | 489 | -14 |
8 | 480 | 45.3 | 490 | -10 |
9 | 488 | 55.7 | 468 | 20 |
10 | 533 | 59.8 | 514 | 19 |
11 | 513 | 57.6 | 500 | 13 |
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