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Extent of reaction

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reactant or product. Although less common, we see from this expression that since the stoichiometric number can either be considered to be dimensionless or to have units of moles, conversely the extent of reaction can either be considered to have units of moles or to be a unitless mole fraction.
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Although in the example above the extent of reaction was positive since the system shifted in the forward direction, this usage implies that in general the extent of reaction can be positive or negative, depending on the direction that the system shifts from its initial composition.
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is a quantity that measures the extent to which the reaction has proceeded. Often, it refers specifically to the value of the extent of reaction when equilibrium has been reached. It is usually denoted by the Greek letter
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of the reactant A changes into B and C. This requires that all three mole numbers change according to the stoichiometry of the reaction, but they will not change by the same amounts. However, the extent of reaction
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In the above, we note that the stoichiometric number of a reactant is negative. Now when we know the extent, we can rearrange the equation and calculate the equilibrium amounts of B and C.
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can be used to describe the changes on a common footing as needed. The change of the number of moles of A can be represented by the equation
1077: 438: 1061:{\displaystyle \xi _{equi}={\frac {\Delta n_{A}}{\nu _{A}}}={\frac {0.5\ {\text{mol}}-2\ {\text{mol}}}{-2}}=0.75\ {\text{mol}}} 1374: 432:. Considering finite changes instead of infinitesimal changes, one can write the equation for the extent of a reaction as 941:, and the equilibrium amount of A is 0.5 mol. We can calculate the extent of reaction in equilibrium from its definition 249: 838:
The extent of reaction is a useful quantity in computations with equilibrium reactions. Consider the reaction
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The extent of a reaction is generally defined as zero at the beginning of the reaction. Thus the change of
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Vandezande, Jonathon E.; Vander Griend, Douglas A.; DeKock, Roger L. (August 23, 2013).
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The extent of reaction represents the amount of progress made towards equilibrium in a
17: 1370: 650: 646: 429: 1429: 1533: 1465: 1436: 1424: 1330:{\displaystyle n_{C}=0.75\ {\text{mol}}\times 3+0\ {\text{mol}}=2.25\ {\text{mol}}} 1254:{\displaystyle n_{B}=0.75\ {\text{mol}}\times 1+1\ {\text{mol}}=1.75\ {\text{mol}}} 823:{\displaystyle \Delta _{r}H=\left({\frac {\partial H}{\partial \xi }}\right)_{p,T}} 731:{\displaystyle \Delta _{r}G=\left({\frac {\partial G}{\partial \xi }}\right)_{p,T}} 745:
when applied to the oxidation-reduction reaction which generates the voltage of a
1521: 934:{\displaystyle n_{A}=2\ {\text{mol}},n_{B}=1\ {\text{mol}},n_{C}=0\ {\text{mol}}} 742: 1573: 1428:, 2nd ed. (the "Gold Book") (1997). Online corrected version: (2006–) " 1453: 1440: 33:. The extent of reaction is usually defined so that it has units of amount ( 746: 658: 34: 30: 626:{\displaystyle \xi _{equi}={\frac {n_{equi,i}-n_{initial,i}}{\nu _{i}}}} 513:
is the extent itself. Assuming that the system has come to equilibrium,
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The relation between the change in Gibbs reaction energy and
1178:{\displaystyle n_{equi,i}=\xi _{equi}\nu _{i}+n_{initial,i}} 483:{\displaystyle \Delta \xi ={\frac {\Delta n_{i}}{\nu _{i}}}} 1522:"Reaction Extrema: Extent of Reaction in General Chemistry" 749:. Analogously, the relation between the change in reaction 243:
The change in the extent of reaction is then defined as
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Department of Chemical Engineering, Bucknell University
1454:"The Use of Extent of Reaction in Introductory Courses" 1268: 1192: 1080: 950: 852: 762: 670: 522: 499: 441: 400: 367: 337: 310: 252: 201: 156: 114: 94: 63: 653:plotted against the extent of reaction at constant 1358: 1329: 1253: 1177: 1060: 933: 822: 730: 625: 505: 482: 416: 380: 353: 323: 293: 232: 187: 142: 100: 79: 1571: 294:{\displaystyle d\xi ={\frac {dn_{i}}{\nu _{i}}}} 1356: 37:). It was introduced by the Belgian scientist 1452:Canagaratna, Sebastian C. (January 1, 2000). 1558:Lisý, Ján Mikuláš; Valko, Ladislav (1979). 1492:"Extent of Reaction or Events of Reaction?" 1451: 1390:Lisý, Ján Mikuláš; Valko, Ladislav (1979). 753:and enthalpy can be defined. For example, 1557: 1389: 1352: 1350: 1489: 1357:Atkins, Peter; de Paula, Julio (2006). 1572: 1404: 1347: 1560:Príklady a úlohy z fyzikálnej chémie 1392:Príklady a úlohy z fyzikálnej chémie 649:can be defined as the slope of the 331:denotes the number of moles of the 13: 1425:Compendium of Chemical Terminology 976: 795: 787: 764: 703: 695: 672: 454: 442: 14: 1596: 57:Suppose an infinitesimal amount 1551: 1513: 1483: 1445: 1413: 1398: 1383: 846:where the initial amounts are 233:{\displaystyle dn_{C}=+3d\xi } 188:{\displaystyle dn_{B}=+2d\xi } 1: 1526:Journal of Chemical Education 1340: 143:{\displaystyle dn_{A}=-d\xi } 44: 640: 7: 10: 1601: 833: 741:This formula leads to the 1405:Ulický, Ladislav (1983). 195:, and the change of C is 1490:Hanyak, Jr., Michael E. 381:{\displaystyle \nu _{i}} 361:reactant or product and 1441:10.1351/goldbook.S06025 1430:stoichiometric number, 1407:Chemický náučný slovník 1365:(8 ed.). p.  1331: 1255: 1179: 1062: 935: 824: 732: 627: 507: 484: 418: 417:{\displaystyle i^{th}} 382: 355: 354:{\displaystyle i^{th}} 325: 295: 234: 189: 144: 102: 81: 80:{\displaystyle dn_{i}} 49:Consider the reaction 1332: 1256: 1180: 1063: 936: 825: 733: 628: 508: 485: 419: 391:stoichiometric number 383: 356: 326: 324:{\displaystyle n_{i}} 296: 235: 190: 150:, the change of B is 145: 103: 82: 1585:Analytical chemistry 1266: 1190: 1078: 948: 850: 760: 668: 520: 506:{\displaystyle \xi } 497: 439: 398: 365: 335: 308: 250: 199: 154: 112: 101:{\displaystyle \xi } 92: 61: 22:chemical engineering 39:Théophile de Donder 1580:Physical chemistry 1361:Physical chemistry 1327: 1251: 1175: 1058: 931: 820: 728: 623: 503: 480: 414: 378: 351: 321: 291: 230: 185: 140: 98: 77: 26:extent of reaction 18:physical chemistry 1538:10.1021/ed400069d 1376:978-0-7167-8759-4 1325: 1321: 1311: 1307: 1291: 1287: 1249: 1245: 1235: 1231: 1215: 1211: 1056: 1052: 1042: 1031: 1027: 1017: 1013: 1000: 929: 925: 902: 898: 875: 871: 802: 710: 621: 478: 430:chemical reaction 289: 1592: 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Chem. Educ 1455: 1448: 1442: 1438: 1434: 1433: 1427: 1426: 1421: 1416: 1408: 1401: 1393: 1386: 1378: 1372: 1368: 1363: 1362: 1353: 1351: 1346: 1316: 1313: 1302: 1299: 1296: 1293: 1282: 1279: 1274: 1270: 1262: 1240: 1237: 1226: 1223: 1220: 1217: 1206: 1203: 1198: 1194: 1186: 1170: 1167: 1164: 1161: 1158: 1155: 1152: 1149: 1146: 1142: 1138: 1133: 1129: 1123: 1120: 1117: 1114: 1110: 1106: 1101: 1098: 1095: 1092: 1089: 1086: 1082: 1074: 1073: 1072: 1047: 1044: 1038: 1035: 1022: 1019: 1008: 1002: 995: 991: 984: 980: 970: 965: 962: 959: 956: 952: 944: 943: 942: 920: 917: 912: 908: 904: 893: 890: 885: 881: 877: 866: 863: 858: 854: 842:2 A ⇌ B + 3 C 841: 840: 839: 815: 812: 809: 804: 798: 790: 781: 776: 773: 768: 756: 755: 754: 752: 748: 744: 723: 720: 717: 712: 706: 698: 689: 684: 681: 676: 664: 663: 662: 660: 656: 652: 648: 638: 616: 612: 605: 602: 599: 596: 593: 590: 587: 584: 581: 577: 573: 568: 565: 562: 559: 556: 553: 549: 542: 537: 534: 531: 528: 524: 516: 515: 514: 500: 473: 469: 462: 458: 448: 445: 435: 434: 433: 431: 426: 409: 406: 402: 393: 392: 373: 369: 346: 343: 339: 316: 312: 284: 280: 273: 269: 265: 259: 256: 253: 246: 245: 244: 241: 227: 224: 221: 218: 215: 210: 206: 202: 182: 179: 176: 173: 170: 165: 161: 157: 137: 134: 131: 128: 123: 119: 115: 95: 72: 68: 64: 53:A ⇌ 2 B + 3 C 52: 51: 50: 42: 40: 36: 32: 27: 23: 19: 1559: 1553: 1541:. Retrieved 1529: 1525: 1515: 1503:. Retrieved 1498: 1485: 1473:. Retrieved 1461: 1457: 1447: 1431: 1423: 1415: 1406: 1400: 1391: 1385: 1360: 1070: 845: 837: 747:voltaic cell 740: 651:Gibbs energy 647:Gibbs energy 644: 635: 492: 427: 389: 303: 242: 56: 48: 25: 15: 659:temperature 1574:Categories 1341:References 45:Definition 1464:(1): 52. 1294:× 1218:× 1130:ν 1111:ξ 1036:− 1020:− 992:ν 977:Δ 953:ξ 799:ξ 796:∂ 788:∂ 765:Δ 707:ξ 704:∂ 696:∂ 673:Δ 641:Relations 613:ν 574:− 525:ξ 501:ξ 470:ν 455:Δ 446:ξ 443:Δ 370:ν 281:ν 257:ξ 228:ξ 183:ξ 138:ξ 132:− 96:ξ 751:enthalpy 655:pressure 1543:10 July 834:Example 394:of the 388:is the 1501:. 2014 1373:  1320:  1306:  1286:  1244:  1230:  1210:  1051:  1026:  1012:  924:  897:  870:  304:where 1505:3 May 1495:(PDF) 1475:3 May 1420:IUPAC 35:moles 1545:2021 1507:2021 1477:2021 1371:ISBN 1317:2.25 1283:0.75 1241:1.75 1207:0.75 1048:0.75 657:and 20:and 1534:doi 1466:doi 1437:doi 1435:". 1367:201 1324:mol 1310:mol 1290:mol 1248:mol 1234:mol 1214:mol 1055:mol 1030:mol 1016:mol 1009:0.5 928:mol 901:mol 874:mol 240:. 16:In 1576:: 1530:90 1528:. 1524:. 1497:. 1462:77 1460:. 1456:. 1422:, 1369:. 1349:^ 661:. 41:. 24:, 1547:. 1536:: 1509:. 1479:. 1468:: 1439:: 1432:ν 1379:. 1314:= 1303:0 1300:+ 1297:3 1280:= 1275:C 1271:n 1238:= 1227:1 1224:+ 1221:1 1204:= 1199:B 1195:n 1171:i 1168:, 1165:l 1162:a 1159:i 1156:t 1153:i 1150:n 1147:i 1143:n 1139:+ 1134:i 1124:i 1121:u 1118:q 1115:e 1107:= 1102:i 1099:, 1096:i 1093:u 1090:q 1087:e 1083:n 1045:= 1039:2 1023:2 1003:= 996:A 985:A 981:n 971:= 966:i 963:u 960:q 957:e 921:0 918:= 913:C 909:n 905:, 894:1 891:= 886:B 882:n 878:, 867:2 864:= 859:A 855:n 816:T 813:, 810:p 805:) 791:H 782:( 777:= 774:H 769:r 724:T 721:, 718:p 713:) 699:G 690:( 685:= 682:G 677:r 617:i 606:i 603:, 600:l 597:a 594:i 591:t 588:i 585:n 582:i 578:n 569:i 566:, 563:i 560:u 557:q 554:e 550:n 543:= 538:i 535:u 532:q 529:e 474:i 463:i 459:n 449:= 410:h 407:t 403:i 374:i 347:h 344:t 340:i 317:i 313:n 285:i 274:i 270:n 266:d 260:= 254:d 225:d 222:3 219:+ 216:= 211:C 207:n 203:d 180:d 177:2 174:+ 171:= 166:B 162:n 158:d 135:d 129:= 124:A 120:n 116:d 73:i 69:n 65:d 31:ξ

Index

physical chemistry
chemical engineering
ξ
moles
Théophile de Donder
stoichiometric number
chemical reaction
Gibbs energy
Gibbs energy
pressure
temperature
Nernst equation
voltaic cell
enthalpy


Physical chemistry
201
ISBN
978-0-7167-8759-4
IUPAC
Compendium of Chemical Terminology
stoichiometric number, ν
doi
10.1351/goldbook.S06025
"The Use of Extent of Reaction in Introductory Courses"
doi
10.1021/ed077p52
"Extent of Reaction or Events of Reaction?"
"Reaction Extrema: Extent of Reaction in General Chemistry"

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