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Carothers equation

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1262: 992: 1257:{\displaystyle {\begin{matrix}{\bar {X}}_{w}&=&{\frac {1+p}{1-p}}\\{\bar {M}}_{n}&=&M_{o}{\frac {1}{1-p}}\\{\bar {M}}_{w}&=&M_{o}{\frac {1+p}{1-p}}\\PDI&=&{\frac {{\bar {M}}_{w}}{{\bar {M}}_{n}}}=1+p\\\end{matrix}}} 715:
Thus for a 1% excess of one monomer, r = 0.99 and the limiting degree of polymerization is 199, compared to infinity for the equimolar case. An excess of one reactant can be used to control the degree of polymerization.
829: 633:
is the stoichiometric ratio of reactants, the excess reactant is conventionally the denominator so that r < 1. If neither monomer is in excess, then r = 1 and the equation reduces to the equimolar case
976: 622: 710: 199: 900: 365: 298: 528: 484: 243: 396: 422: 728:
of a monomer molecule is the number of functional groups which participate in the polymerization. Monomers with functionality greater than two will introduce
986:
Related to the Carothers equation are the following equations (for the simplest case of linear polymers formed from two monomers in equimolar quantities):
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The effect of the excess reactant is to reduce the degree of polymerization for a given value of p. In the limit of complete conversion of the
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is 2, which occurs at a monomer conversion of 100% (or p = 1). This is true for step-growth polymerization of linear polymers. For
1353:
In practice the average length of the polymer chain is limited by such things as the purity of the reactants, the absence of any
1306: 1293: 905: 550: 1347: 729: 650: 69:
The simplest case refers to the formation of a strictly linear polymer by the reaction (usually by condensation) of two
740:
molecules initially and equivalent numbers of two functional groups A and B, the total number of functional groups is N
1343: 147: 1459: 20: 844: 313: 252: 32: 248: 441: 258: 1398:, Lampe Frederick W. and Mark James E. "Contemporary Polymer Chemistry" (3rd ed., Pearson 2003) p.324 1377:
Cowie J.M.G. "Polymers: Chemistry & Physics of Modern Materials (2nd edition, Blackie 1991), p.29
103: 497: 453: 255:, equal to the average number of monomer units in a polymer molecule. For the example of nylon-6,6 212: 1464: 54: 1417: 1395: 641: 444:
is required to achieve a high degree of polymerization. For example, a monomer conversion,
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into a polymer, and the degree of polymerization will depend on the average functionality f
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Rudin Alfred "The Elements of Polymer Science and Engineering", Academic Press 1982, p.171
407: 1453: 1354: 541: 126: 1329: 1358: 74: 1421: 431: 1319: 70: 43: 824:{\displaystyle f_{av}={\frac {\sum N_{i}\cdot f_{i}}{\sum N_{i}}}} 58: 367:
is the extent of reaction (or conversion to polymer), defined by
430:. The total includes all degrees of polymerization: monomers, 1408:
Carothers, Wallace (1936). "Polymers and polyfunctionality".
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index. (formerly known as polydispersity index, symbol PDI)
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There are several versions of this equation, proposed by
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in equimolar quantities. An example is the synthesis of
971:{\displaystyle {\frac {2(N_{0}-N)}{N_{0}\cdot f_{av}}}} 400:
is the number of molecules present initially as monomer
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The last equation shows that the maximum value of the
997: 324: 995: 908: 847: 757: 653: 617:{\displaystyle {\bar {X}}_{n}={\frac {1+r}{1+r-2rp}}} 553: 500: 456: 410: 377: 316: 261: 215: 150: 65:
Linear polymers: two monomers in equimolar quantities
705:{\displaystyle {\bar {X}}_{n}\to {\frac {1+r}{1-r}}} 1256: 970: 894: 823: 704: 616: 522: 478: 416: 390: 359: 292: 237: 193: 194:{\displaystyle {\bar {X}}_{n}={\frac {1}{1-p}}} 426:is the number of molecules present after time 8: 895:{\displaystyle x_{n}={\frac {2}{2-pf_{av}}}} 736:per monomer unit. For a system containing N 720:Branched polymers: multifunctional monomers 360:{\displaystyle p={\tfrac {N_{0}-N}{N_{0}}}} 1318:is the molecular weight of the repeating 1230: 1219: 1218: 1211: 1200: 1199: 1196: 1150: 1144: 1127: 1116: 1115: 1092: 1086: 1069: 1058: 1057: 1026: 1013: 1002: 1001: 996: 994: 956: 943: 922: 909: 907: 880: 861: 852: 846: 812: 797: 784: 774: 762: 756: 676: 667: 656: 655: 652: 576: 567: 556: 555: 552: 514: 503: 502: 499: 470: 459: 458: 455: 409: 382: 376: 348: 331: 323: 315: 275: 264: 263: 260: 229: 218: 217: 214: 173: 164: 153: 152: 149: 440:This equation shows that a high monomer 136: 132: 121: 117: 113: 109: 96: 92: 88: 84: 80: 16:Formula for the degree of polymerization 1370: 1281:weight average degree of polymerization 536:Linear polymers: one monomer in excess 7: 1350:polymers, the Đ can be much higher. 1410:Transactions of the Faraday Society 544:excess, then the equation becomes 14: 293:{\displaystyle {\bar {X}}_{n}=2n} 1307:weight average molecular weight 1294:number average molecular weight 1224: 1205: 1121: 1063: 1007: 934: 915: 673: 661: 561: 523:{\displaystyle {\bar {X}}_{n}} 508: 479:{\displaystyle {\bar {X}}_{n}} 464: 269: 238:{\displaystyle {\bar {X}}_{n}} 223: 158: 1: 540:If one monomer is present in 1357:(i.e. high yield), and the 1344:chain-growth polymerization 836:modified Carothers equation 1481: 21:step-growth polymerization 448:, of 98% is required for 42:, for a given fractional 253:degree of polymerization 33:degree of polymerization 1258: 972: 896: 825: 706: 618: 524: 492:= 99% is required for 480: 418: 392: 361: 294: 239: 195: 1259: 973: 902:, where p equals to 897: 826: 707: 619: 525: 481: 419: 393: 391:{\displaystyle N_{0}} 362: 295: 240: 196: 1422:10.1039/TF9363200039 993: 906: 845: 755: 651: 644:monomer, p → 1 and 551: 498: 454: 408: 375: 314: 259: 213: 148: 104:hexamethylenediamine 29:Carothers' equation 1254: 1252: 968: 892: 821: 702: 614: 520: 476: 414: 388: 357: 355: 304:diamine units and 290: 235: 191: 125:, and one mole of 25:Carothers equation 1460:Polymer chemistry 1236: 1227: 1208: 1174: 1124: 1108: 1066: 1050: 1010: 982:Related equations 966: 890: 819: 700: 664: 612: 564: 511: 467: 417:{\displaystyle N} 354: 272: 226: 204:In this equation 189: 161: 102:from one mole of 77:whose formula is 55:Wallace Carothers 1472: 1444: 1441: 1435: 1432: 1426: 1425: 1405: 1399: 1396:Allcock Harry R. 1393: 1387: 1384: 1378: 1375: 1263: 1261: 1260: 1255: 1253: 1237: 1235: 1234: 1229: 1228: 1220: 1216: 1215: 1210: 1209: 1201: 1197: 1175: 1173: 1162: 1151: 1149: 1148: 1132: 1131: 1126: 1125: 1117: 1109: 1107: 1093: 1091: 1090: 1074: 1073: 1068: 1067: 1059: 1051: 1049: 1038: 1027: 1018: 1017: 1012: 1011: 1003: 977: 975: 974: 969: 967: 965: 964: 963: 948: 947: 937: 927: 926: 910: 901: 899: 898: 893: 891: 889: 888: 887: 862: 857: 856: 830: 828: 827: 822: 820: 818: 817: 816: 803: 802: 801: 789: 788: 775: 770: 769: 711: 709: 708: 703: 701: 699: 688: 677: 672: 671: 666: 665: 657: 642:limiting reagent 623: 621: 620: 615: 613: 611: 588: 577: 572: 571: 566: 565: 557: 531: 529: 527: 526: 521: 519: 518: 513: 512: 504: 491: 487: 485: 483: 482: 477: 475: 474: 469: 468: 460: 447: 429: 425: 423: 421: 420: 415: 399: 397: 395: 394: 389: 387: 386: 366: 364: 363: 358: 356: 353: 352: 343: 336: 335: 325: 307: 303: 299: 297: 296: 291: 280: 279: 274: 273: 265: 246: 244: 242: 241: 236: 234: 233: 228: 227: 219: 200: 198: 197: 192: 190: 188: 174: 169: 168: 163: 162: 154: 141:. For this case 140: 124: 101: 57:, who invented 49: 41: 1480: 1479: 1475: 1474: 1473: 1471: 1470: 1469: 1450: 1449: 1448: 1447: 1442: 1438: 1433: 1429: 1407: 1406: 1402: 1394: 1390: 1385: 1381: 1376: 1372: 1367: 1361:of the medium. 1317: 1304: 1291: 1278: 1251: 1250: 1217: 1198: 1194: 1189: 1177: 1176: 1163: 1152: 1140: 1138: 1133: 1114: 1111: 1110: 1097: 1082: 1080: 1075: 1056: 1053: 1052: 1039: 1028: 1024: 1019: 1000: 991: 990: 984: 952: 939: 938: 918: 911: 904: 903: 876: 866: 848: 843: 842: 808: 804: 793: 780: 776: 758: 753: 752: 747: 743: 739: 735: 722: 689: 678: 654: 649: 648: 589: 578: 554: 549: 548: 538: 501: 496: 495: 493: 489: 457: 452: 451: 449: 445: 427: 406: 405: 403: 378: 373: 372: 370: 344: 327: 326: 312: 311: 305: 301: 262: 257: 256: 216: 211: 210: 208: 178: 151: 146: 145: 138: 134: 130: 123: 119: 115: 111: 107: 100: 94: 90: 86: 82: 78: 67: 47: 40: 36: 17: 12: 11: 5: 1478: 1476: 1468: 1467: 1462: 1452: 1451: 1446: 1445: 1436: 1427: 1400: 1388: 1379: 1369: 1368: 1366: 1363: 1355:side reactions 1336: 1335: 1334: 1333: 1323: 1315: 1310: 1302: 1297: 1289: 1284: 1276: 1265: 1264: 1249: 1246: 1243: 1240: 1233: 1226: 1223: 1214: 1207: 1204: 1195: 1193: 1190: 1188: 1185: 1182: 1179: 1178: 1172: 1169: 1166: 1161: 1158: 1155: 1147: 1143: 1139: 1137: 1134: 1130: 1123: 1120: 1113: 1112: 1106: 1103: 1100: 1096: 1089: 1085: 1081: 1079: 1076: 1072: 1065: 1062: 1055: 1054: 1048: 1045: 1042: 1037: 1034: 1031: 1025: 1023: 1020: 1016: 1009: 1006: 999: 998: 983: 980: 979: 978: 962: 959: 955: 951: 946: 942: 936: 933: 930: 925: 921: 917: 914: 886: 883: 879: 875: 872: 869: 865: 860: 855: 851: 832: 831: 815: 811: 807: 800: 796: 792: 787: 783: 779: 773: 768: 765: 761: 745: 741: 737: 733: 721: 718: 713: 712: 698: 695: 692: 687: 684: 681: 675: 670: 663: 660: 638: 637: 636: 635: 625: 624: 610: 607: 604: 601: 598: 595: 592: 587: 584: 581: 575: 570: 563: 560: 542:stoichiometric 537: 534: 517: 510: 507: 473: 466: 463: 438: 437: 436: 435: 413: 401: 385: 381: 351: 347: 342: 339: 334: 330: 322: 319: 309: 308:diacid units). 289: 286: 283: 278: 271: 268: 249:number-average 232: 225: 222: 202: 201: 187: 184: 181: 177: 172: 167: 160: 157: 66: 63: 38: 15: 13: 10: 9: 6: 4: 3: 2: 1477: 1466: 1463: 1461: 1458: 1457: 1455: 1440: 1437: 1431: 1428: 1423: 1419: 1415: 1411: 1404: 1401: 1397: 1392: 1389: 1383: 1380: 1374: 1371: 1364: 1362: 1360: 1356: 1351: 1349: 1345: 1341: 1331: 1327: 1324: 1321: 1314: 1311: 1308: 1301: 1298: 1295: 1288: 1285: 1282: 1275: 1272: 1271: 1270: 1269: 1268: 1247: 1244: 1241: 1238: 1231: 1221: 1212: 1202: 1191: 1186: 1183: 1180: 1170: 1167: 1164: 1159: 1156: 1153: 1145: 1141: 1135: 1128: 1118: 1104: 1101: 1098: 1094: 1087: 1083: 1077: 1070: 1060: 1046: 1043: 1040: 1035: 1032: 1029: 1021: 1014: 1004: 989: 988: 987: 981: 960: 957: 953: 949: 944: 940: 931: 928: 923: 919: 912: 884: 881: 877: 873: 870: 867: 863: 858: 853: 849: 841: 840: 839: 837: 813: 809: 805: 798: 794: 790: 785: 781: 777: 771: 766: 763: 759: 751: 750: 749: 731: 727: 726:functionality 719: 717: 696: 693: 690: 685: 682: 679: 668: 658: 647: 646: 645: 643: 632: 629: 628: 627: 626: 608: 605: 602: 599: 596: 593: 590: 585: 582: 579: 573: 568: 558: 547: 546: 545: 543: 535: 533: 515: 505: 471: 461: 443: 434:and polymers. 433: 411: 402: 383: 379: 369: 368: 349: 345: 340: 337: 332: 328: 320: 317: 310: 287: 284: 281: 276: 266: 254: 251:value of the 250: 230: 220: 207: 206: 205: 185: 182: 179: 175: 170: 165: 155: 144: 143: 142: 128: 105: 99: 76: 72: 64: 62: 60: 56: 51: 45: 34: 30: 26: 22: 1439: 1430: 1413: 1409: 1403: 1391: 1382: 1373: 1352: 1339: 1337: 1325: 1312: 1299: 1286: 1280: 1273: 1266: 985: 835: 833: 725: 723: 714: 639: 630: 539: 439: 203: 97: 79:[−NH−(CH 68: 52: 46:conversion, 31:) gives the 28: 24: 18: 1443:Rudin p.170 127:adipic acid 1454:Categories 1434:Cowie p.40 1365:References 1330:dispersity 488:= 50, and 442:conversion 87:−NH−CO−(CH 1465:Equations 1416:: 39–49. 1359:viscosity 1225:¯ 1206:¯ 1168:− 1122:¯ 1102:− 1064:¯ 1044:− 1008:¯ 950:⋅ 929:− 871:− 806:∑ 791:⋅ 778:∑ 730:branching 694:− 674:→ 662:¯ 600:− 562:¯ 509:¯ 465:¯ 432:oligomers 338:− 270:¯ 224:¯ 183:− 159:¯ 75:nylon-6,6 61:in 1935. 1348:branched 834:And the 131:HOOC−(CH 71:monomers 1346:or for 1328:is the 1320:monomer 1305:is the 1292:is the 1279:is the 1267:where: 532:= 100. 530:⁠ 494:⁠ 486:⁠ 450:⁠ 424:⁠ 404:⁠ 398:⁠ 371:⁠ 247:is the 245:⁠ 209:⁠ 44:monomer 634:above. 23:, the 1322:unit, 139:−COOH 95:−CO−] 59:nylon 724:The 112:N(CH 27:(or 1418:doi 838:is 748:. 19:In 1456:: 1414:32 1412:. 746:av 734:av 129:, 120:NH 106:, 50:. 35:, 1424:. 1420:: 1340:Đ 1326:Đ 1316:o 1313:M 1309:, 1303:w 1300:M 1296:, 1290:n 1287:M 1283:, 1277:w 1274:X 1248:p 1245:+ 1242:1 1239:= 1232:n 1222:M 1213:w 1203:M 1192:= 1187:I 1184:D 1181:P 1171:p 1165:1 1160:p 1157:+ 1154:1 1146:o 1142:M 1136:= 1129:w 1119:M 1105:p 1099:1 1095:1 1088:o 1084:M 1078:= 1071:n 1061:M 1047:p 1041:1 1036:p 1033:+ 1030:1 1022:= 1015:w 1005:X 961:v 958:a 954:f 945:0 941:N 935:) 932:N 924:0 920:N 916:( 913:2 885:v 882:a 878:f 874:p 868:2 864:2 859:= 854:n 850:x 814:i 810:N 799:i 795:f 786:i 782:N 772:= 767:v 764:a 760:f 744:f 742:0 738:0 697:r 691:1 686:r 683:+ 680:1 669:n 659:X 631:r 609:p 606:r 603:2 597:r 594:+ 591:1 586:r 583:+ 580:1 574:= 569:n 559:X 516:n 506:X 490:p 472:n 462:X 446:p 428:t 412:N 384:0 380:N 350:0 346:N 341:N 333:0 329:N 321:= 318:p 306:n 302:n 300:( 288:n 285:2 282:= 277:n 267:X 231:n 221:X 186:p 180:1 176:1 171:= 166:n 156:X 137:4 135:) 133:2 122:2 118:6 116:) 114:2 110:2 108:H 98:n 93:4 91:) 89:2 85:6 83:) 81:2 48:p 39:n 37:X

Index

step-growth polymerization
degree of polymerization
monomer
Wallace Carothers
nylon
monomers
nylon-6,6
hexamethylenediamine
adipic acid
number-average
degree of polymerization
oligomers
conversion
stoichiometric
limiting reagent
branching
number average molecular weight
weight average molecular weight
monomer
dispersity
chain-growth polymerization
branched
side reactions
viscosity
Allcock Harry R.
doi
10.1039/TF9363200039
Categories
Polymer chemistry
Equations

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