Abstract
In this paper, thermodynamic modeling for materials-oriented chemical engineering systems were investigated in order to solve critical scientific problems, such as the material structure, chemical properties, thermodynamic properties, and transfer behaviors on the interfaces or under confined circumstances. On the basis of the theory and approaches of chemical engineering, and the principles of chemical engineering thermodynamics and transfer processes, molecular simulations were combined with modern physical characterization methods to study thermodynamic modeling in materials-oriented chemical engineering processes.
References
Hummer G, Rasaiah JC, Noworyta JP (2001) Nature 414:188
Koga K, Gao GT, Tanaka H, Zeng XC (2001) Nature 412:802
Thallapally PK, Lloyd GO, Atwood JL, Barbour LJ (2005) Angew Chem Int Ed 44:3848
Liu C, Fan YY, Liu M, Cong HT, Cheng HM, Dresselhaus MS (1999) Science 286:1127
Sazonova V, Yaish Y, Ustunel H, Roundy D, Arias TA, Mceuen PL (2004) Nature 431:284
Snow ES, Perkins FK, Houser EJ, Badescu SC, Reinecke TL (2005) Science 307:1942
Portney NG, Ozkan M (2006) Anal Bioanal Chem 384:620
Hinds BJ, Chopra N, Rantell T, Andrews R, Gavalas V, Bachas LG (2004) Science 303:5654
Zhu FQ, Schulten K (2003) Biophys J 85:236
Rivera JL, McCabe C, Cummings PT (2002) Nano Lett 2:1427
Marti J, Gordillo MC (2002) Chem Phys Lett 354:227
Marti J, Guardia E, Gordillo MC (2002) Chem Phys Lett 365:536
Gordillo MC, Marti J (2001) Chem Phys Lett 341:250
Koga K, Gao GT, Tanaka H, Zeng XC (2002) Physica A 314:462
Walther JH, Jaffe R, Halicioglu T, Koumoutsakos P (2001) J Phys Chem B 105:9980
Gordillo MC, Marti J (2003) Phys Rev B 67:205425
Charlier JC (2002) Acc Chem Res 35:1063
Niyogi S, Hamon MA, Hu H, Zhao B, Bhowmik P, Sen R, Itkis ME, Haddon RC (2002) Acc Chem Res 35:1105
Noon WH, Ausman KD, Smalley RE, Ma JP (2002) Chem Phys Lett 355:445
Joseph S, Mashl RJ, Jakobsson E, Aluru NR (2003) Nano Lett 3:1399
Gordillo MC, Marti J (2000) Chem Phys Lett 329:341
Ruoff RS, Tse DS, Malhotra R, Lorents DC (1993) J Phys Chem 97:3379
Scrivens WA, Tour JM (1993) J Chem Soc Chem Commun 18:1207
Yao Z, Braidy N, Botton GA, Adronov A (2003) J Am Chem Soc 125:16015
Kong J, Franklin NR, Zhou CW, Chapline MG, Peng S, Cho KJ, Dai HJ (2000) Science 287:5453
Pantarotto D, Partidos CD, Graff R, Hoebeke J, Briand JP, Prato M, Bianco A (2003) J Am Chem Soc 125:6160
Tasis D, Tagmatachis N, Bianco A, Prato M (2006) Chem Rev 106:1105
Hirsh A (2002) Angew Chem Int Ed 41:1853
Sun YP, Fu K, Lin Y, Huang W (2002) Acc Chem Res 35:1096
Zheng J, Lennon EM, Tsao HK, Sheng YJ, Jiang SY (2005) J Chem Phys 122:214702
Halicioglu T, Jaffe RL (2002) Nano Lett 2:573
Huang LL, Shao Q, Lu LH, Lu XH, Zhang LZ, Wang J, Jiang SY (2006) Phys Chem Chem Phys 8:3836
Wang J, Zhu Y, Zhou J, Lu XH (2004) Phys Chem Chem Phys 6:829
Luzar A, Chandler D (1996) Nature 379:55
Zimmerli U, Gonnet PG, Walther JH, Koumoutsakos P (2005) Nano Lett 5:1017
Zhou QL, Zhou Q, Forman SA (2000) Biochemistry 39:14920
Mihic SJ, Ye Q, Wick MJ, Koltchine VV, Krasowski MD, Finn SE, Mascia MP, Valenzuela CF, Hanson KK, Greenblatt EP, Harris RA, Harrison NL (1997) Nature 389:385
Ren H, Honse Y, Peoples RW (2003) J Biol Chem 278:48815
Vane LM (2005) J Chem Technol Biotechnol 80:603
Zhang QX, Zheng J, Shevade A, Zhang LZ, Gehrke SH, Heffelfinger GS, Jiang SY (2002) J Chem Phys 117:808
Denis M, Regis G, Yongde X, Christiane A-S (2004) J Chem Phys 121:1466
Guegan R, Morineau D, Alba-Simionesco C (2005) Chem Phys 317:236
Sliwinska-Bartkowiak M, Dudziak G, Sikorski R, Gras R, Gubbins KE, Radhakrishnan R (2001) Phys Chem Chem Phys 3:1179
Ohkubo T, Iiyama T, Kaneko K (1999) Chem Phys Lett 312:191
Kaneko K (2000) Carbon 38:287
Feller SE, Brown CA, Nizza DT, Gawrisch K (2002) Biophys J 82:1396
Patra M, Salonen E, Terama E, Vattulainen I, Faller R, Lee BW, Holopainen J, Karttunen M (2006) Biophys J 90:1121
Hofmann D, Fritz L, Paul D (1998) J Membr Sci 144:145
Takaba H, Koyama A, Nakao S (2000) J Phys Chem B 104:6353
Striolo A (2006) Nano Lett 6:633
Jorgensen WL (1986) J Phys Chem 90:1276
Compoint M, Boiteux C, Huetz P, Ramseyer C, Girardet C (2005) Phys Chem Chem Phys 7:4138
Vaitheeswaran S, Rasaiah JC, Hummer G (2004) J Chem Phys 121:7955
Mashl RJ, Joseph S, Aluru NR, Jakobsson E (2003) Nano Lett 3:589
Zhou J, Lu XH, Wang YR, Shi J (2002) Fluid Phase Equilibria 194–197:257
Zhu Y, Lu XH, Ding H, Wang YR (2003) Mol Simul 29:767
Ding H, Zhu Y, Wang J, Lu XH, Ma J (2004) Acta Chim Sin 62:1287
Burgess J (1978) Metal ions in solution. Ellis Horwood, Chichester
Marcus Y (1985) Ion solvation. Wiley, Chichester
Frisch MJ, Trucks GW, Schlegel HB (1998) Gaussian 98. Gaussian, Pittsburgh
Pitzer KS, Li YG (1984) Proc Natl Acad Sci USA 81:1268
Oelkers EH, Helgeson HC (1991) Geochim Cosmochim Acta 55:1235
Lu XH, Wang YR, Shi J (1988) Fluid Phase Equilibria 43:137
Valyashko VM, Urusova MA, Ketsko VA (1987) Zhurnal Neorganicheskoi Khimii 32:2811
Armstrong AR, Armstrong G, Canales J, Bruce PG (2004) Ang Chem Int Ed 43:2286
Byrappa K, Yoshimura M (2001) Handbook of hydrothermal technology: a technology for crystal growth and materials processing. William Andrew, New York
Rabenau H, Rau H (1969) Philips Techn Rev 30:89
Chen YF, Lee CY, Yeng MY, Chiu HT (2003) Mater Chem Phys 81:39
Lu XH, Zhang LZ, Wang YR, Shi J (1996) Fluid Phase Equilibria 116:201
Harvie CE, Weare JH (1980) Geochim Cosmochim Acta 44:981
Rafal M, Berthold JW, Scrivner NC, Grise SL (1994) Models for electrolyte solutions. Marcel. Dekker, New York
Berry DA, Ng KM (1997) AIChE J 43:1737
Thomsen K, Rasmussen P, Gani R (1998) Chem Eng Sci 53:1551
Lencka MM, Riman RE (1993) Chem Mater 5:61
Lencka MM, Riman RE (1993) J Am Ceram Soc 76:2649
Lencka MM, Anderko A, Riman RE (1995) J Am Ceram Soc 78:2609
Ji XY, Feng X, Lu XH, Zhang LH, Wang YR, Shi J, Liu YD (2002) Ind Eng Chem Res 41:2040
Prausnitz JM, Anderson TF, Grens EA (1980) Computer calculations for multicomponent vapor–liquid and liquid–liquid equilibria. Prentice-Hall, New Jersey
Kusik CL, Meissner HP, Field EL (1979) AIChE J 25:759
Pitzer KS (ed) (1991) Activity coefficients in electrolyte solution. CRC, Boston
Lu XH, Maurer G (1993) AIChE J 39:1527
Pabalan RT, Pitzer KS (1991) Mineral solubilities in electrolyte solutions. In: Pitzer KS (ed) Activity coefficients in electrolyte solution. CRC, Boston, p 435
Linke WF, Seidell A (1965) Solubilities of inorganic and metal-organic compounds. American. Chemical Society, Washington DC
Cisternas LA, Rudd DF (1993) Ind Eng Chem Res 32:1993
Greenberg JP, Moller N (1989) Geochim Cosmochim Acta 53:2503
Yan LM (1998) J Chem Ind Eng Technol (Chinese) 19:28
Sun Q (1999) Sea Lake & Chem Ind (Chinese) 28:24
Salem MR, Mangood AH, Hamdona SK (1994) J Mater Sci 29:6463
Palwe BG, Tavare NS (1984) Chem Eng Sci 39:903
Kralj D, Brecevic L, Kontrec J (1997) J Cryst Growth 177:248
Bovinton CH, Jones AL (1970) Trans Faraday Soc 66:2088
Kallay N, Tomasic V, Zalac S, Brecevic L (1997) J Colloid Interf Sci 188:68
Garside J, Mullin JW (1968) Trans Inst Chem Eng 46:T11
Mydlarz J, Jones AG (1989) Chem Eng Sci 44:1391
Liu C, Feng X, Ji XY, Chen DL, Wei T, Lu XH (2004) Chinese J Chem Eng 12:128
Bergfors TM (1999) Protein crystallization. International University Line, La Jooa
Mullin JW (1997) Crystallization. Butterworth-Heinnemann, Woburn
Taguchi Y, Yoshida M, Kobayashi H (2002) J Chem Eng Jpn 35:1038
Feng X, Liu C, Ji X-Y, Chen, D-lLu X-h(2000) Gaoxiao Huaxue Gongcheng Xuebao 14:583
Kim S, Myerson AS (1996) Ind Eng Chem Res 35:1078
Mohan R, Myerson AS (2002) Chem Eng Sci 57:4277
Burton WK, Cabrera N, Frank FC (1951) Philos Trans R Soc London, Ser A 243:299
Soehnel O, Novotny P (1985) Densities of aqueous solutions of inorganic substances. Elsevier, New York
Lu X, Zhang L, Wang Y, Shi J, Maurer G (1996) Ind Eng Chem Res 35:1777
Ji XY, Zhang LZ, Lu XH, Wang YR, Shi J (1997) J Chem Ind Eng (Chinese) 48:532
Garside J, Mullin JW, Das SN (1974) Ind Eng Chem Fundam 13:299
Cheng FQ, Bai Y, Liu C, Lu XH, Dong CA (2006) Ind Eng Chem Res 45:6266
Feng X, Diao XS, Shi YJ, Wang HY, Sun SH, Lu XH (2006) WEAR 261:1208
Bao N, Feng X, Yang Z, Shen L, Lu X (2004) Environ Sci Technol 38:2729
He M, Lu XH, Feng X, Yu L, Yang ZH (2004) Chem Comm, p 2202
He M, Yu L, Lu XH, Feng X (2007) J Am Ceram Soc 90:319
Feng X, Lu J, Lu X, Bao N, Chen D (1999) Fuhe Cailiao Xuebao 16:1
Lu JZ, Lu XH (2001) Appl Polym Sci 82:368
Bao N, Feng X, Lu X, Shen L, Yanagisawa K (2004) AIChE J 50:1568
Smith JM, Van Ness HC (1975) Introduction to chemical engineering thermodynamics, 3rdMcGraw-Hill, Kogakusha, Japanedn
Khakonov AI (1974) J Phys Chem (USSR) 48:1552
Criss CM, Cobble JW (1964) J Am Ceram Soc 86:5385
Andersson S, Woadsley AD (1960) Nature 187:499
Andersson S, Woadsley AD (1961) Acta Chem Scand 15:663
Fujiki Y, Ohsaka T (1982) Yogyo Kyokaishi 90:19
Yu L, He M, Liu C, Lu XH, Feng X (2005) Mater Chem Phys 93:342
Liu C, He M, Lu XH, Zhang QT, Xu ZZ (2005) Crystal Growth Design 5:1399
Sasaki T, Watanabe M, Komatsu Y, Fujiki Y (1985) Inorg Chem 24:2265
He M, Feng X, Lu XH, Ji XY, Liu C, Bao NZ, Xie JW (2004) J Mater Sci 39:3745
He M, Feng X, Lu XH, Ji XY, Liu C, Bao NZ, Xie JW (2003) J Chem Eng Jpn 36:1259
Bao NZ, Lu XH, Ji XY, Feng X, Xie JW (2002) Fluid Phase Equilibria 193:229
Xie K, Pan Y, Wang XH, Li Y (1997) Inorg Chem Ind (Chinese) 1:16
Tajima M, Noda K, Morita Y, Matsutani Y (1988) Japan patent 63064998
Kobayashi I, Fukami J, Ootsubo K (1993) Japan patent 05009462
Shimizu T, Yanagida H, Hori M, Hashimoto K, Nishikawa Y (1979) Yogyo Kyokaishi 87:565
Harada H, Kudoh Y, Inoue Y, Shima H (1995) J Ceram Soc Jpn 103:155
Harada H, Inoue Y (1992) US patent 5084422
Ohta N, Fujiki Y (1980) Yogyo Kyokaishi 88:1
Fitch B (1970) Ind Eng Chem Res 62:6
Acknowledgment
This work was supported by the Program for Changjiang Scholars and Innovative Research Team in University (no. IRT0732), the National Natural Science Foundation of China (NSFC) and the Research Grants Council (RGC) of Hong Kong Joint Research Scheme (JRS) (no. 20731160614), the Joint Research Fund of NSFC for Young Scholars Abroad (no. 20428606), the NSFC (nos. 20236010, 20676062, 20736002, 20706029, and 20706028), National High Technology Research and Development Program of China (no. 2006AA03Z455), and the Key Science Foundation of Jiangsu Province, China (BK2007051).
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Liu, C., Ji, Y., Shao, Q., Feng, X., Lu, X. (2008). Thermodynamic Analysis for Synthesis of Advanced Materials. In: Structure and Bonding. Springer, Berlin, Heidelberg. https://doi.org/10.1007/430_2008_4
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DOI: https://doi.org/10.1007/430_2008_4
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