Modelling and simulation of continuous hydrothermal flow synthesis process for nano-materials manufacture

Journal of Supercritical Fluids

Volumn 59, Issue , 2011, Pages 131-139

  Chen, Man ^a   Ma, Cai Y ^a   Mahmud, Tariq ^a   Darr, Jawwad A ^b   Wang, Xue Z ^a  

^a UNIVERSITY OF LEEDS   (United Kingdom)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

Continuous hydrothermal flow synthesis; Engineering nanomaterials; Population balance modelling

Indexed keywords

DYNAMIC EVOLUTION; EFFECTS OF TEMPERATURE; EXPERIMENTAL STUDIES; FLOW SYNTHESIS; HIGH QUALITY; METAL SALT; MODELLING AND SIMULATIONS; MODELLING TECHNIQUES; NANO CERAMICS; NANOMATERIAL; OPERATIONAL MODES; PARTICLE AGGREGATION; PARTICLE SURFACE; POPULATION BALANCE MODELS; POPULATION BALANCES; PROCESS USE; SIMULATION STUDIES; SUPERCRITICAL CONDITION; SUPERCRITICAL WATER; SYNTHESIS METHOD;

AGGLOMERATION; NANOSTRUCTURED MATERIALS; ORGANIC SOLVENTS; PARTICLE SIZE ANALYSIS; POPULATION STATISTICS; REACTION KINETICS; SIZE DISTRIBUTION; THERMODYNAMICS;

HYDROTHERMAL SYNTHESIS;

EID: 80053560478     PISSN: 08968446     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.supflu.2011.07.002     Document Type: Article

References (50)

1. 2 nanoparticles J. Supercritical Fluids 50 2009 276 282
2. J.A. Darr, M.A. Poliakoff, W.S. Li, and A.J. Blake Hexafluoropentanedionatosilver(I) complexes stabilised by multidentate N-donor ligands: crystal structure of a charge-separated salt species soluble in supercritical carbon dioxide J. Chemical Society: Dalton Transactions 1997 2869 2874 (Pubitemid 127780644)
3. 2 assisted synthesis of highly selective Nafion-zeolite nanocomposite membranes for direct methanol fuel cells J. Membrane Science 297 1-2 2007 1 4 (Pubitemid 46764491)
4. K. Gong, J.A. Darr, and I.U. Rehman Supercritical fluid assisted impregnation of indomethacin into chitosan thermosets for controlled release applications International J. Pharmaceutics 315 1-2 2006 93 98 (Pubitemid 43674107)
5. K. Gong, R. Viboonkiat, and I.U. Rehman Formation and characterization of porous indomethacin-PVP coprecipitates prepared using solvent-free supercritical fluid processing J. Pharmaceutical Sciences 94 12 2005 2583 2590 (Pubitemid 43265383)
6. J.A. Darr, and M. Poliakoff New directions in inorganic and metal-organic coordination chemistry in supercritical fluids Chemical Reviews 99 1999 495 542
7. K. Thompson, J. Goodall, S. Kellici, J.A. Mattinson, T.A. Egerton, I. Rehman, and J.A. Darr Screening tests for the evaluation of nanoparticle titania photocatalysts J. Chemical Technology and Biotechnology 84 2009 1717 1725
8. X.Z. Wang, B. Perston, Y. Yang, T. Lin, and J.A. Darr Robust QSAR model development in high-throughput catalyst discovery based on genetic parameter optimisation Chemical Engineering Research & Design 87 2009 1420 1429
9. 2 (x = 0-1) solid solutions J. Materials Chemistry 11 2001 561 568 (Pubitemid 32193480)
10. 2 solid solutions in near-critical water Chemical Communications 2000 901 902 (Pubitemid 30389932)
11. 7) nano-sheets Dalton Transactions 39 2010 711 714
12. X.L. Weng, B. Perston, X.Z. Wang, I. Abrahams, T. Lin, S.F. Yang, J.R.G. Evans, D.J. Morgan, A.F. Carley, M. Bowker, J.C. Knowles, I. Rehman, and J.A. Darr Synthesis and characterization of doped nano-sized ceria-zirconia solid solutions Applied Catalysis B: Environmental 90 2009 405 415
13. A.A. Chaudhry, J. Goodall, M. Vickers, J.K. Cockcroft, I. Rehman, J.C. Knowles, and J.A. Darr Synthesis and characterisation of magnesium substituted calcium phosphate bioceramic nanoparticles made via continuous hydrothermal flow synthesis J. Materials Chemistry 18 48 2008 5900 5908
14. 4 spinel and related compounds via continuous hydrothermal synthesis methods Industrial & Engineering Chemistry Research 46 2007 4830 4838 (Pubitemid 47116474)
15. 7 from nanosized coprecipitates Chemistry of Materials 19 18 2007 4382 4384 (Pubitemid 47441869)
16. C.B. Xu, and A.S. Teja Continuous hydrothermal synthesis of iron oxide and PVA-protected iron oxide nanoparticles J. Supercritical Fluids 44 1 2008 85 91 (Pubitemid 350298734)
17. C.B. Xu, J. Lee, and A.S. Teja Continuous hydrothermal synthesis of lithium iron phosphate in subcritical and supercritical water J. Supercritical Fluids 44 1 2008 92 97 (Pubitemid 350298729)
18. C.B. Xu Continuous and Catch Hydrothermal Synthesis of Metal Oxide Nanoparticles and Metal Oxide-activated Carbon Nanocomposites 2006 School of Chemical & Molecular Engineering, Georgia Institute of Technology p. 240
19. T. Adschiri, S. Takami, M. Umetsu, S. Ohara, and T. Tsukada Supercritical Hydrothermal Synthesis of Nanoparticles 2005 Kurashiki Japan
20. E. Lester, P. Blood, J. Denyer, D. Giddings, B. Azzopardi, and M. Poliakoff Reaction engineering: the supercritical water hydrothermal synthesis of nano-particles J. Supercritical Fluids 37 2006 209 214
21. S. Kellici, K.A. Gong, T.A. Lin, S. Brown, R.J.H. Clark, M. Vickers, J.K. Cockcroft, V. Middelkoop, P. Barnes, J.M. Perkins, C.J. Tighe, and J.A. Darr High-throughput continuous hydrothermal flow synthesis of Zn-Ce oxides: unprecedented solubility of Zn in the nanoparticle fluorite lattice Philosophical Transactions of the Royal Society A: Mathematical Physical and Engineering Sciences 368 2010 4331 4349
22. S. Kellici, K. Gong, T. Lin, S. Brown, R.J.H. Clark, M. Vickers, J.K. Cockcrof, V. Middelkoop, P. Barnes, J.M. Perkins, C. Tighe, and J.A. Darr High throughput continuous hydrothermal (HiTCH) flow synthesis of Zn-Ce oxides; unprecedented solubility of Zn in the nanoparticle fluorite lattice Royal Society Philosophical Transactions A 368 2010 4331 4349
23. X.L. Weng, J.K. Cockcroft, G. Hyett, M. Vickers, P. Boldrin, C.C. Tang, S.P. Thompson, J.E. Parker, J.C. Knowles, I. Rehman, I. Parkin, J.R.G. Evans, and J.A. Darr High-throughput continuous hydrothermal synthesis of an entire nanoceramic phase diagram J. Combinatorial Chemistry 11 2009 829 834
24. R.W. Thompson, and A. Dyer A modified population balance model for hydrothermal molecular-sieve zeolite synthesis Zeolites 5 1985 292 301
25. A.Y. Sheikh, A.G. Jones, and P. Graham Population balance modeling of particle formation during the chemical synthesis of zeolite crystals: assessment of hydrothermal precipitation kinetics Zeolites 16 1996 164 172 (Pubitemid 126753781)
26. 2 in supercritical water by molecular dynamics simulations J. Supercritical Fluids 47 2008 270 280
27. I.G. Nahtigal, A.Y. Zasetsky, and I.M. Svishchev Nucleation of NaCl nanoparticles in supercritical water: molecular dynamics simulations J. Physical Chemistry B 112 2008 7537 7543
28. A. Aimable, H. Muhr, C. Gentric, F. Bernard, F. Le Cras, and D. Aymes Continuous hydrothermal synthesis of inorganic nanopowders in supercritical water: towards a better control of the process Powder Technology 190 2009 99 106
29. 2/ethanol mixtures J. Materials Chemistry 2002 958 965
30. A. Erriguible, F. Mariasi, F. Cansell, and C. Aymonier Monodisperse model to predict the growth of inorganic nanostructured particles in supercritical fluids through a coalescence and aggregation mechanism J. Supercritical Fluids 48 2009 79 84
31. J. Sierra-Pallares, M.T. Parra-Santos, J. García-Serna, F. Castro, and M.J. Cocero Numerical modelling of hydrothermal flames. Micromixing effects over turbulent reaction rates J. Supercritical Fluids 50 2 2009 146 154
32. V. Middelkoop, P. Boldrin, M. Peel, T. Buslaps, P. Barnes, J.A. Darr, and S.D.M. Jacques Imaging the inside of a continuous nanoceramic synthesizer under supercritical water conditions using high-energy synchrotron X-radiation Chemistry of Materials 21 2009 2430 2435
33. M. Lindberg, and A.C. Rasmuson Reaction crystallization in strained fluid films Chemical Engineering Science 56 2001 3257 3273 (Pubitemid 32575841)
34. Y. Hakuta, K. Seino, H. Ura, T. Adschiri, H. Takizawa, and K. Arai Production of phosphor (YAG:Tb) fine particles by hydrothermal synthesis in supercritical water J. Materials Chemistry 9 1999 2671 2674
35. 2: effect of operational variables in the characteristics of the final product J. Supercritical Fluids 39 2007 453 461 (Pubitemid 44708626)
36. Y. Hakuta, S. Onai, H. Terayama, T. Adschiri, and K. Arai Production of ultra-fine ceria particles by hydrothermal synthesis under supercritical conditions J. Materials Science Letters 17 1998 1211 1213 (Pubitemid 128509365)
37. K.E.A. Arai Continuous synthesis of zinc oxide nanoparticles in supercritical water Green Chemistry 2003 659 662
38. 2O in the critical region American J. Science 291 1991 541 648
39. E.L. Shock, E.H. Oelkers, J.W. Johnson, D.A. Sverjensky, and H.C. Helgeson Calculation of the thermodynamic properties of aqueous species at high-pressures and temperatures - effective electrostatic radii, dissociation-constants and standard partial molal properties to 1000-degrees-c and 5-kbar J. Chemical Society: Faraday Transactions 88 1992 803 826
40. H.R. Xu, and L. Gao New evidence of a dissolution-precipitation mechanism in hydrothermal synthesis of barium titanate powders Materials Letters 57 2002 490 494 (Pubitemid 35349898)
41. G.S. Springer, F. Thomas, T.F. Irvine Jr., and P.H. James Homogeneous nucleation Advances in Heat Transfer 1979 Elsevier 281 346
42. M. Turk Influence of thermodynamic behaviour and solute properties on homogeneous nucleation in supercritical solutions J. Supercritical Fluids 18 2000 169 184
43. Process Systems Enterprise Limited, http://www.psenterprise.com/gproms/.
44. Z. Zhang, J.B.M. Goodall, D.J. Morgan, S. Brown, R.J.H. Clark, J.C. Knowles, N.J. Mordan, J.R.G. Evans, A.F. Carley, M. Bowker, and J.A. Darr Photocatalytic activities of N-doped nano-titanias and titanium nitride J. European Ceramic Society 29 2009 2343 2353
45. T. Adschiri, K. Kanazawa, and K. Arai Rapid and continuous hydrothermal synthesis of boehmite particles in subcritical and supercritical water J. American Ceramic Society 75 1992 2615 2618
46. Z.C. Zhang, S. Brown, J.B.M. Goodall, X.L. Weng, K. Thompson, K.N. Gong, S. Kellici, R.J.H. Clark, J.R.G. Evans, and J.A. Darr Direct continuous hydrothermal synthesis of high surface area nanosized titania J. Alloys and Compounds 476 2009 451 456
47. 2 powder synthesis in a supercritical fluid - experimental validation J. Supercritical Fluids 9 1996 222 226 (Pubitemid 126656551)
48. R.H. Perry, and D.W. Green Perry's Chemical Engineering's Handbook 7th ed. 1997 McGraw-Hill New York
49. 3) Chemistry of Materials 17 2005 5346 5356 (Pubitemid 41527971)
50. C.Y. Ma, C.J. Tighe, R.I. Gruar, T. Mahmud, J.A. Darr, and X.Z. Wang Numerical modelling of hydrothermal fluid flow and heat transfer in a tubular heat exchanger under near critical conditions Journal of Supercritical Fluids 57 2011 236 246