메뉴 건너뛰기




Volumn 29, Issue 2, 2013, Pages 766-780

Simulating the formation of surfactant-templated mesoporous silica materials: A model with both surfactant self-assembly and silica polymerization

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS SILICA; BULK AMORPHOUS; CHANGING TEMPERATURE; EXPERIMENTAL OBSERVATION; EXPLICIT REPRESENTATION; HEXAGONAL ARRAYS; HEXAGONAL ORDERING; HIGH PH; LAMELLAR PHASIS; LATTICE MODELS; LONG RANGE ORDERS; LOW TEMPERATURES; MCM-41 MESOPOROUS SILICAS; MESOPOROUS SILICA MATERIALS; MESOSTRUCTURES; MONTE CARLO; MONTE CARLO SIMULATION; PH DEPENDENCE; PRECURSOR SOLUTIONS; SILICA CONDENSATION; SILICIC ACIDS; SURFACTANT SELF-ASSEMBLY; SYNTHESIS CONDITIONS;

EID: 84872521248     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la304475j     Document Type: Article
Times cited : (24)

References (83)
  • 1
    • 0025168065 scopus 로고
    • The preparation of alkyltrimethylammonium-kanemite complexes and their conversion to microporous materials
    • Yanagisawa, T.; Shimizu, T.; Kuroda, K.; Kato, C. The preparation of alkyltrimethylammonium-kanemite complexes and their conversion to microporous materials Bull. Chem. Soc. Jpn. 1990, 63, 988-992
    • (1990) Bull. Chem. Soc. Jpn. , vol.63 , pp. 988-992
    • Yanagisawa, T.1    Shimizu, T.2    Kuroda, K.3    Kato, C.4
  • 2
    • 0026931265 scopus 로고
    • Ordered mesoporous molecular-sieves synthesized by a liquid-crystal template mechanism
    • Kresge, C. T.; Leonowicz, M. E.; Roth, W. J.; Vartuli, J. C.; Beck, J. S. Ordered mesoporous molecular-sieves synthesized by a liquid-crystal template mechanism Nature 1992, 359, 710-712
    • (1992) Nature , vol.359 , pp. 710-712
    • Kresge, C.T.1    Leonowicz, M.E.2    Roth, W.J.3    Vartuli, J.C.4    Beck, J.S.5
  • 4
    • 25444449268 scopus 로고    scopus 로고
    • Ordered mesoporous materials for bioadsorption and biocatalysis
    • Hartmann, M. Ordered mesoporous materials for bioadsorption and biocatalysis Chem. Mater. 2005, 17, 4577-4593
    • (2005) Chem. Mater. , vol.17 , pp. 4577-4593
    • Hartmann, M.1
  • 5
    • 55749096749 scopus 로고    scopus 로고
    • Ordered mesoporous materials for drug delivery
    • Wang, S. Ordered mesoporous materials for drug delivery Microporous Mesoporous Mater. 2009, 117, 1-9
    • (2009) Microporous Mesoporous Mater. , vol.117 , pp. 1-9
    • Wang, S.1
  • 6
    • 77956835971 scopus 로고    scopus 로고
    • New developments in ordered mesoporous materials for drug delivery
    • Manzano, M.; Vallet-Regi, M. New developments in ordered mesoporous materials for drug delivery J. Mater. Chem. 2010, 20, 5593-5604
    • (2010) J. Mater. Chem. , vol.20 , pp. 5593-5604
    • Manzano, M.1    Vallet-Regi, M.2
  • 8
    • 0027840058 scopus 로고
    • Studies on mesoporous materials. I. Synthesis and characterization of MCM-41
    • Chen, C. Y.; Li, H. X.; Davis, M. E. Studies on mesoporous materials. I. Synthesis and characterization of MCM-41 Microporous Mater. 1993, 2, 17-26
    • (1993) Microporous Mater. , vol.2 , pp. 17-26
    • Chen, C.Y.1    Li, H.X.2    Davis, M.E.3
  • 9
    • 0027887601 scopus 로고
    • Studies on mesoporous materials. II. Synthesis mechanism MCM-41
    • Chen, C. Y.; Burkett, S. L.; Li, H. X.; Davis, M. E. Studies on mesoporous materials. II. Synthesis mechanism MCM-41 Microporous Mater. 1993, 2, 27-34
    • (1993) Microporous Mater. , vol.2 , pp. 27-34
    • Chen, C.Y.1    Burkett, S.L.2    Li, H.X.3    Davis, M.E.4
  • 10
    • 0001240556 scopus 로고
    • Molecular or supramolecular templating: Defining the role of surfactant chemistry in the formation of microporous and mesoporous molecular sieves
    • Beck, J. S.; Vartuli, J. C.; Kennedy, G. J.; Kresge, C. T.; Roth, W. J.; Schramm, S. E. Molecular or supramolecular templating: Defining the role of surfactant chemistry in the formation of microporous and mesoporous molecular sieves Chem. Mater. 1994, 6, 1816-1821
    • (1994) Chem. Mater. , vol.6 , pp. 1816-1821
    • Beck, J.S.1    Vartuli, J.C.2    Kennedy, G.J.3    Kresge, C.T.4    Roth, W.J.5    Schramm, S.E.6
  • 13
    • 0012498083 scopus 로고
    • Liquid-crystalline phases as templates for the synthesis of mesoporous silica
    • Attard, G. S.; Glyde, J. C.; G., G. C. Liquid-crystalline phases as templates for the synthesis of mesoporous silica Nature 1995, 378, 366-368
    • (1995) Nature , vol.378 , pp. 366-368
    • Attard, G.S.1    Glyde, J.C.2    G, C.G.3
  • 15
    • 0013385076 scopus 로고    scopus 로고
    • From microporous to mesoporous molecular sieve materials and their use in catalysis
    • Corma, A. From microporous to mesoporous molecular sieve materials and their use in catalysis Chem. Rev. 1997, 97, 2373-2419
    • (1997) Chem. Rev. , vol.97 , pp. 2373-2419
    • Corma, A.1
  • 16
    • 0032559316 scopus 로고    scopus 로고
    • Triblock copolymer syntheses of mesoporous silica with periodic 50 to 300 angstrom pores
    • Zhao, D. Y.; Feng, J. L.; Huo, Q. S.; Melosh, N.; Fredrickson, G. H.; Chmelka, B. F.; Stucky, G. D. Triblock copolymer syntheses of mesoporous silica with periodic 50 to 300 angstrom pores Science 1998, 279, 548-552
    • (1998) Science , vol.279 , pp. 548-552
    • Zhao, D.Y.1    Feng, J.L.2    Huo, Q.S.3    Melosh, N.4    Fredrickson, G.H.5    Chmelka, B.F.6    Stucky, G.D.7
  • 17
    • 0031801728 scopus 로고    scopus 로고
    • Nonionic triblock and star diblock copolymer and oligomeric surfactant syntheses of highly ordered, hydrothermally stable, mesoporous silica structures
    • Zhao, D. Y.; Huo, Q. S.; Feng, J. L.; Chmelka, B. F.; Stucky, G. D. Nonionic triblock and star diblock copolymer and oligomeric surfactant syntheses of highly ordered, hydrothermally stable, mesoporous silica structures J. Am. Chem. Soc. 1998, 120, 6024-6036
    • (1998) J. Am. Chem. Soc. , vol.120 , pp. 6024-6036
    • Zhao, D.Y.1    Huo, Q.S.2    Feng, J.L.3    Chmelka, B.F.4    Stucky, G.D.5
  • 18
    • 0000714278 scopus 로고    scopus 로고
    • Triblock-copolymer-directed syntheses of large-pore mesoporous silica fibers
    • Yang, P. D.; Zhao, D. Y.; Chmelka, B. F.; Stucky, G. D. Triblock-copolymer-directed syntheses of large-pore mesoporous silica fibers Chem. Mater. 1998, 10, 2033-2036
    • (1998) Chem. Mater. , vol.10 , pp. 2033-2036
    • Yang, P.D.1    Zhao, D.Y.2    Chmelka, B.F.3    Stucky, G.D.4
  • 19
    • 0037142065 scopus 로고    scopus 로고
    • Ordered porous materials for emerging applications
    • Davis, M. E. Ordered porous materials for emerging applications Nature 2002, 417, 813-821
    • (2002) Nature , vol.417 , pp. 813-821
    • Davis, M.E.1
  • 20
    • 0036852612 scopus 로고    scopus 로고
    • Structural and morphological control of cationic surfactant-templated mesoporous silica
    • Lin, H. P.; Mou, C. Y. Structural and morphological control of cationic surfactant-templated mesoporous silica Acc. Chem. Res. 2002, 35, 927-935
    • (2002) Acc. Chem. Res. , vol.35 , pp. 927-935
    • Lin, H.P.1    Mou, C.Y.2
  • 21
    • 32644432515 scopus 로고    scopus 로고
    • Understanding the differences between microporous and mesoporous synthesis through the phase behavior of silica
    • Fedeyko, J. M.; Vlachos, D. G.; Lobo, R. F. Understanding the differences between microporous and mesoporous synthesis through the phase behavior of silica Microporous Mesoporous Mater. 2006, 90, 102-111
    • (2006) Microporous Mesoporous Mater. , vol.90 , pp. 102-111
    • Fedeyko, J.M.1    Vlachos, D.G.2    Lobo, R.F.3
  • 22
    • 33748535426 scopus 로고    scopus 로고
    • Detailed in situ XRD and calorimetric study of the formation of silicate/mixed surfactant mesophases under alkaline conditions. Influence of surfactant chain length and synthesis temperature
    • Beurroies, I.; Agren, P.; Buechel, G.; Rosenholm, J. B.; Amenitsch, H.; Denoyel, R.; Linden, M. Detailed in situ XRD and calorimetric study of the formation of silicate/mixed surfactant mesophases under alkaline conditions. Influence of surfactant chain length and synthesis temperature J. Phys. Chem. B 2006, 110, 16254-16260
    • (2006) J. Phys. Chem. B , vol.110 , pp. 16254-16260
    • Beurroies, I.1    Agren, P.2    Buechel, G.3    Rosenholm, J.B.4    Amenitsch, H.5    Denoyel, R.6    Linden, M.7
  • 24
    • 0000350753 scopus 로고    scopus 로고
    • Template-based approaches to the preparation of amorphous, nanoporous silicas
    • Raman, N. K.; Anderson, M. T.; Brinker, C. J. Template-based approaches to the preparation of amorphous, nanoporous silicas Chem. Mater. 1996, 8, 1682-1701
    • (1996) Chem. Mater. , vol.8 , pp. 1682-1701
    • Raman, N.K.1    Anderson, M.T.2    Brinker, C.J.3
  • 25
    • 0001152831 scopus 로고    scopus 로고
    • Synthesis and characterization of templated mesoporous materials using molecular simulation
    • Siperstein, F. R.; Gubbins, K. E. Synthesis and characterization of templated mesoporous materials using molecular simulation Mol. Simul. 2001, 27, 339-352
    • (2001) Mol. Simul. , vol.27 , pp. 339-352
    • Siperstein, F.R.1    Gubbins, K.E.2
  • 26
    • 0037453683 scopus 로고    scopus 로고
    • Phase separation and liquid crystal self-assembly in surfactant- inorganic-solvent systems
    • Siperstein, F. R.; Gubbins, K. E. Phase separation and liquid crystal self-assembly in surfactant-inorganic-solvent systems Langmuir 2003, 19, 2049-2057
    • (2003) Langmuir , vol.19 , pp. 2049-2057
    • Siperstein, F.R.1    Gubbins, K.E.2
  • 27
    • 22144495992 scopus 로고
    • The reaction ensemble method for the computer-simulation of chemical and phase-equilibria 0.1. Theory and basic examples
    • Smith, W. R.; Triska, B. The reaction ensemble method for the computer-simulation of chemical and phase-equilibria 0.1. Theory and basic examples J. Chem. Phys. 1994, 1 00, 3019-3027
    • (1994) J. Chem. Phys. , vol.100 , pp. 3019-3027
    • Smith, W.R.1    Triska, B.2
  • 28
    • 0001351193 scopus 로고
    • Reactive canonical Monte-Carlo - A new simulation technique for reacting or associating fluids
    • Johnson, J. K.; Panagiotopoulos, A. Z.; Gubbins, K. E. Reactive canonical Monte-Carlo-a new simulation technique for reacting or associating fluids Mol. Phys. 1994, 81, 717-733
    • (1994) Mol. Phys. , vol.81 , pp. 717-733
    • Johnson, J.K.1    Panagiotopoulos, A.Z.2    Gubbins, K.E.3
  • 29
    • 0031552952 scopus 로고    scopus 로고
    • EPR studies of the formation mechanism of the mesoporous materials MCM-41 and MCM-50
    • Zhang, J. Y.; Luz, Z.; Goldfarb, D. EPR studies of the formation mechanism of the mesoporous materials MCM-41 and MCM-50 J. Phys. Chem. B 1997, 101, 7087-7094
    • (1997) J. Phys. Chem. B , vol.101 , pp. 7087-7094
    • Zhang, J.Y.1    Luz, Z.2    Goldfarb, D.3
  • 30
    • 0031949465 scopus 로고    scopus 로고
    • In situ X-ray diffraction study of the initial stages of formation of MCM-41 in a tubular reactor
    • Linden, M.; Schunk, S. A.; Schuth, F. In situ X-ray diffraction study of the initial stages of formation of MCM-41 in a tubular reactor Angew. Chem., Int. Ed. 1998, 37, 821-823
    • (1998) Angew. Chem., Int. Ed. , vol.37 , pp. 821-823
    • Linden, M.1    Schunk, S.A.2    Schuth, F.3
  • 32
    • 0000742620 scopus 로고    scopus 로고
    • Nucleation events during the synthesis of mesoporous materials using liquid crystalline templating
    • Regev, O. Nucleation events during the synthesis of mesoporous materials using liquid crystalline templating Langmuir 1996, 12, 4940-4944
    • (1996) Langmuir , vol.12 , pp. 4940-4944
    • Regev, O.1
  • 33
    • 0000067950 scopus 로고    scopus 로고
    • Effects of aluminate and silicate on the structure of quaternary ammonium surfactant aggregates
    • Lee, Y. S.; Surjadi, D.; Rathman, J. F. Effects of aluminate and silicate on the structure of quaternary ammonium surfactant aggregates Langmuir 1996, 12, 6202-6210
    • (1996) Langmuir , vol.12 , pp. 6202-6210
    • Lee, Y.S.1    Surjadi, D.2    Rathman, J.F.3
  • 34
    • 0032523718 scopus 로고    scopus 로고
    • Kinetics of formation of micelle-templated silica mesophases monitored by electron paramagnetic resonance
    • Galarneau, A.; Di Renzo, F.; Fajula, F.; Mollo, L.; Fubini, B.; Ottaviani, M. F. Kinetics of formation of micelle-templated silica mesophases monitored by electron paramagnetic resonance J. Colloid Interface Sci. 1998, 201, 105-117
    • (1998) J. Colloid Interface Sci. , vol.201 , pp. 105-117
    • Galarneau, A.1    Di Renzo, F.2    Fajula, F.3    Mollo, L.4    Fubini, B.5    Ottaviani, M.F.6
  • 35
    • 15244355665 scopus 로고    scopus 로고
    • Physical chemistry of nanostructured molecular sieves by the study of phase diagrams: The case of the cetyltrimethylammonium bromide- tetramethylammonium silicate-water system
    • Albuquerque, A.; Vautier-Giongo, C.; Pastore, H. Physical chemistry of nanostructured molecular sieves by the study of phase diagrams: the case of the cetyltrimethylammonium bromide-tetramethylammonium silicate-water system J. Colloid Interface Sci. 2005, 284, 687-693
    • (2005) J. Colloid Interface Sci. , vol.284 , pp. 687-693
    • Albuquerque, A.1    Vautier-Giongo, C.2    Pastore, H.3
  • 36
    • 0037124893 scopus 로고    scopus 로고
    • Nucleation of MCM-41 nanoparticles by internal reorganization of disordered and nematic-like silica surfactant clusters
    • Sadasivan, S.; Fowler, C.; Khushalani, D.; Mann, S. Nucleation of MCM-41 nanoparticles by internal reorganization of disordered and nematic-like silica surfactant clusters Angew. Chem., Int. Ed. 2002, 41, 2151-2153
    • (2002) Angew. Chem., Int. Ed. , vol.41 , pp. 2151-2153
    • Sadasivan, S.1    Fowler, C.2    Khushalani, D.3    Mann, S.4
  • 37
    • 0345404098 scopus 로고    scopus 로고
    • Fluorescence probing investigations of the mechanism of formation of organized mesoporous silica
    • Zana, R.; Frasch, J.; Soulard, M.; Lebeau, B.; Patarin, J. Fluorescence probing investigations of the mechanism of formation of organized mesoporous silica Langmuir 1999, 15, 2603-2606
    • (1999) Langmuir , vol.15 , pp. 2603-2606
    • Zana, R.1    Frasch, J.2    Soulard, M.3    Lebeau, B.4    Patarin, J.5
  • 38
    • 0034322032 scopus 로고    scopus 로고
    • In situ investigations on cetyltrimethyl ammonium surfactant/silicate systems, precursors of organized mesoporous MCM-41-type siliceous materials
    • Frasch, J.; Lebeau, B.; Soulard, M.; Patarin, J.; Zana, R. In situ investigations on cetyltrimethyl ammonium surfactant/silicate systems, precursors of organized mesoporous MCM-41-type siliceous materials Langmuir 2000, 16, 9049-9057
    • (2000) Langmuir , vol.16 , pp. 9049-9057
    • Frasch, J.1    Lebeau, B.2    Soulard, M.3    Patarin, J.4    Zana, R.5
  • 39
    • 33747140072 scopus 로고    scopus 로고
    • Micellization of CTAB in the presence of silicate anions and the exchange between bromide and silicate at the micelle surface: A step to understand the formation of mesoporous molecular sieves at extremely low surfactant and silicate concentrations
    • Vautier-Giongo, C.; Pastore, H. O. Micellization of CTAB in the presence of silicate anions and the exchange between bromide and silicate at the micelle surface: A step to understand the formation of mesoporous molecular sieves at extremely low surfactant and silicate concentrations J. Colloid Interface Sci. 2006, 299, 874-882
    • (2006) J. Colloid Interface Sci. , vol.299 , pp. 874-882
    • Vautier-Giongo, C.1    Pastore, H.O.2
  • 40
    • 18444364967 scopus 로고    scopus 로고
    • Properties of the silica layer during the formation of MCM-41 studied by EPR of a silica-bound spin probe
    • Baute, D.; Frydman, V.; Zimmermann, H.; Kababya, S.; Goldfarb, D. Properties of the silica layer during the formation of MCM-41 studied by EPR of a silica-bound spin probe J. Phys. Chem. B 2005, 109, 7807-7816
    • (2005) J. Phys. Chem. B , vol.109 , pp. 7807-7816
    • Baute, D.1    Frydman, V.2    Zimmermann, H.3    Kababya, S.4    Goldfarb, D.5
  • 41
    • 0026925918 scopus 로고
    • The stability and vibrational-spectra of 3-ring containing zeolitic silica polymorphs
    • de Man, A. J. M.; Ueda, S.; Annen, M. J.; Davis, M. E.; van Santen, R. A. The stability and vibrational-spectra of 3-ring containing zeolitic silica polymorphs Zeolites 1992, 12, 789-800
    • (1992) Zeolites , vol.12 , pp. 789-800
    • De Man, A.J.M.1    Ueda, S.2    Annen, M.J.3    Davis, M.E.4    Van Santen, R.A.5
  • 42
    • 0027545824 scopus 로고
    • 29Si MAS NMR spectroscopy of framework materials containing three-membered rings
    • 29Si MAS NMR spectroscopy of framework materials containing three-membered rings Microporous Mater. 1993, 1, 57-65
    • (1993) Microporous Mater. , vol.1 , pp. 57-65
    • Annen, M.J.1    Davis, M.E.2
  • 43
    • 38949126942 scopus 로고    scopus 로고
    • Intermediate-range order in mesoporous silicas investigated by a high-energy x-ray diffraction technique
    • Wakihara, T.; Fan, W.; Kohara, S.; Ogura, M.; Sankar, G.; Okubo, T. Intermediate-range order in mesoporous silicas investigated by a high-energy x-ray diffraction technique Chem. Lett. 2008, 37, 30-31
    • (2008) Chem. Lett. , vol.37 , pp. 30-31
    • Wakihara, T.1    Fan, W.2    Kohara, S.3    Ogura, M.4    Sankar, G.5    Okubo, T.6
  • 44
    • 34250678542 scopus 로고    scopus 로고
    • Monte Carlo simulation of self-assembled ordered hybrid materials
    • Patti, A.; Mackie, A. D.; Siperstein, F. R. Monte Carlo simulation of self-assembled ordered hybrid materials Langmuir 2007, 23, 6771-6780
    • (2007) Langmuir , vol.23 , pp. 6771-6780
    • Patti, A.1    MacKie, A.D.2    Siperstein, F.R.3
  • 45
    • 36049026204 scopus 로고    scopus 로고
    • Phase behavior of model surfactants in the presence of hybrid particles
    • Patti, A.; Siperstein, F. R.; Mackie, A. D. Phase behavior of model surfactants in the presence of hybrid particles J. Phys. Chem. C 2007, 111, 16035-16044
    • (2007) J. Phys. Chem. C , vol.111 , pp. 16035-16044
    • Patti, A.1    Siperstein, F.R.2    MacKie, A.D.3
  • 46
    • 58849133688 scopus 로고    scopus 로고
    • One-pot synthesis of amino functionalized mesoporous silica materials: Using simulations to understand transitions between different structures
    • Patti, A.; Mackie, A. D.; Zelenak, V.; Siperstein, F. R. One-pot synthesis of amino functionalized mesoporous silica materials: using simulations to understand transitions between different structures J. Mater. Chem. 2009, 19, 724-732
    • (2009) J. Mater. Chem. , vol.19 , pp. 724-732
    • Patti, A.1    MacKie, A.D.2    Zelenak, V.3    Siperstein, F.R.4
  • 47
    • 70350222067 scopus 로고    scopus 로고
    • Monte Carlo simulations of self-assembling hexagonal and cage-like bifunctional periodic mesoporous materials
    • Patti, A.; Mackie, A. D.; Siperstein, F. R. Monte Carlo simulations of self-assembling hexagonal and cage-like bifunctional periodic mesoporous materials J. Mater. Chem. 2009, 19, 7848-7855
    • (2009) J. Mater. Chem. , vol.19 , pp. 7848-7855
    • Patti, A.1    MacKie, A.D.2    Siperstein, F.R.3
  • 48
    • 31144433093 scopus 로고    scopus 로고
    • Generation of atomistic models of periodic mesoporous silica by kinetic Monte Carlo simulation of the synthesis of the material
    • Schumacher, C.; Gonzalez, J.; Wright, P. A.; Seaton, N. A. Generation of atomistic models of periodic mesoporous silica by kinetic Monte Carlo simulation of the synthesis of the material J. Phys. Chem. B 2006, 110, 319-333
    • (2006) J. Phys. Chem. B , vol.110 , pp. 319-333
    • Schumacher, C.1    Gonzalez, J.2    Wright, P.A.3    Seaton, N.A.4
  • 49
    • 37849005389 scopus 로고    scopus 로고
    • Molecular simulation of silica/surfactant self-assembly in the synthesis of periodic mesoporous silicas
    • Jorge, M.; Gomes, J. R. B.; Natalia, M.; Cordeiro, D. S.; Seaton, N. A. Molecular simulation of silica/surfactant self-assembly in the synthesis of periodic mesoporous silicas J. Am. Chem. Soc. 2007, 129, 15414-15415
    • (2007) J. Am. Chem. Soc. , vol.129 , pp. 15414-15415
    • Jorge, M.1    Gomes, J.R.B.2    Natalia, M.3    Cordeiro, D.S.4    Seaton, N.A.5
  • 50
    • 61949390767 scopus 로고    scopus 로고
    • Molecular dynamics simulation of the early stages of the synthesis of periodic mesoporous silica
    • Jorge, M.; Gomes, J. R. B.; Cordeiro, M. N. D. S.; Seaton, N. A. Molecular dynamics simulation of the early stages of the synthesis of periodic mesoporous silica J. Phys. Chem. B 2009, 113, 708-718
    • (2009) J. Phys. Chem. B , vol.113 , pp. 708-718
    • Jorge, M.1    Gomes, J.R.B.2    Cordeiro, M.N.D.S.3    Seaton, N.A.4
  • 51
    • 26844527812 scopus 로고    scopus 로고
    • Modeling spontaneous formation of precursor nanoparticles in clear-solution zeolite synthesis
    • Jorge, M.; Auerbach, S. M.; Monson, P. A. Modeling spontaneous formation of precursor nanoparticles in clear-solution zeolite synthesis J. Am. Chem. Soc. 2005, 127, 14388-14400
    • (2005) J. Am. Chem. Soc. , vol.127 , pp. 14388-14400
    • Jorge, M.1    Auerbach, S.M.2    Monson, P.A.3
  • 52
    • 34547786058 scopus 로고    scopus 로고
    • Modelling the thermal stability of precursor nanoparticles in zeolite synthesis
    • Jorge, M.; Auerbach, S. M.; Monson, P. A. Modelling the thermal stability of precursor nanoparticles in zeolite synthesis Mol. Phys. 2006, 104, 3513-3522
    • (2006) Mol. Phys. , vol.104 , pp. 3513-3522
    • Jorge, M.1    Auerbach, S.M.2    Monson, P.A.3
  • 53
    • 77956139300 scopus 로고    scopus 로고
    • Modeling nanoparticle formation during early stages of zeolite growth: A low-coordination lattice model of template penetration
    • Jin, L.; Auerbach, S. M.; Monson, P. A. Modeling nanoparticle formation during early stages of zeolite growth: a low-coordination lattice model of template penetration J. Phys. Chem. C 2010, 114, 14393-14401
    • (2010) J. Phys. Chem. C , vol.114 , pp. 14393-14401
    • Jin, L.1    Auerbach, S.M.2    Monson, P.A.3
  • 54
    • 84858656817 scopus 로고    scopus 로고
    • Emergence of zeolite analogs and other microporous crystals in an atomic lattice model of silica and related materials
    • Jin, L.; Auerbach, S. M.; Monson, P. A. Emergence of zeolite analogs and other microporous crystals in an atomic lattice model of silica and related materials J. Phys. Chem. Lett. 2012, 3, 761-765
    • (2012) J. Phys. Chem. Lett. , vol.3 , pp. 761-765
    • Jin, L.1    Auerbach, S.M.2    Monson, P.A.3
  • 55
    • 79954506272 scopus 로고    scopus 로고
    • Modeling three-dimensional network formation with an atomic lattice model: Application to silicic acid polymerization
    • Jin, L.; Auerbach, S. M.; Monson, P. A. Modeling three-dimensional network formation with an atomic lattice model: Application to silicic acid polymerization J. Chem. Phys. 2011, 134, 134703
    • (2011) J. Chem. Phys. , vol.134 , pp. 134703
    • Jin, L.1    Auerbach, S.M.2    Monson, P.A.3
  • 56
    • 0036271377 scopus 로고    scopus 로고
    • Hofmeister anion effects on surfactant self-assembly and the formation of mesoporous solids
    • Leontidis, E. Hofmeister anion effects on surfactant self-assembly and the formation of mesoporous solids Curr. Opin. Colloid Interface Sci. 2002, 7, 81-91
    • (2002) Curr. Opin. Colloid Interface Sci. , vol.7 , pp. 81-91
    • Leontidis, E.1
  • 58
    • 11144344122 scopus 로고
    • Monte-Carlo simulation of model amphiphilic oil-water systems
    • Larson, R. G.; Scriven, L. E.; Davis, H. T. Monte-Carlo simulation of model amphiphilic oil-water systems J. Chem. Phys. 1985, 83, 2411-2420
    • (1985) J. Chem. Phys. , vol.83 , pp. 2411-2420
    • Larson, R.G.1    Scriven, L.E.2    Davis, H.T.3
  • 59
    • 36549101980 scopus 로고
    • Self-assembly of surfactant liquid-crystalline phases by Monte-Carlo simulation
    • Larson, R. G. Self-assembly of surfactant liquid-crystalline phases by Monte-Carlo simulation J. Chem. Phys. 1989, 91, 2479-2488
    • (1989) J. Chem. Phys. , vol.91 , pp. 2479-2488
    • Larson, R.G.1
  • 60
    • 0000257569 scopus 로고
    • Monte-Carlo simulation of microstructural transitions in surfactant systems
    • Larson, R. G. Monte-Carlo simulation of microstructural transitions in surfactant systems J. Chem. Phys. 1992, 96, 7904-7918
    • (1992) J. Chem. Phys. , vol.96 , pp. 7904-7918
    • Larson, R.G.1
  • 61
    • 0030263269 scopus 로고    scopus 로고
    • Monte Carlo simulations of the phase behavior of surfactant solutions
    • Larson, R. G. Monte Carlo simulations of the phase behavior of surfactant solutions J. Phys. II 1996, 6, 1441-1463
    • (1996) J. Phys. II , vol.6 , pp. 1441-1463
    • Larson, R.G.1
  • 63
    • 0031336454 scopus 로고    scopus 로고
    • Thermochemistry of aqueous silicate solution precursors to ceramics
    • AIChE Topical Conference on Advanced Ceramics Processing as Part of the 5th World Congress of Chemical Engineering, San Diego, CA, July, 1996
    • Sefcik, J.; McCormick, A. V. Thermochemistry of aqueous silicate solution precursors to ceramics AIChE J. 1997, 43, 2773-2784 (AIChE Topical Conference on Advanced Ceramics Processing as Part of the 5th World Congress of Chemical Engineering, San Diego, CA, July, 1996)
    • (1997) AIChE J. , vol.43 , pp. 2773-2784
    • Sefcik, J.1    McCormick, A.V.2
  • 64
    • 79251469443 scopus 로고    scopus 로고
    • Density functional modelling of silicate and aluminosilicate dimerisation solution chemistry
    • White, C. E.; Provis, J. L.; Kearley, G. J.; Riley, D. P.; van Deventer, J. S. J. Density functional modelling of silicate and aluminosilicate dimerisation solution chemistry Dalton Trans. 2011, 40, 1348-1355
    • (2011) Dalton Trans. , vol.40 , pp. 1348-1355
    • White, C.E.1    Provis, J.L.2    Kearley, G.J.3    Riley, D.P.4    Van Deventer, J.S.J.5
  • 65
    • 0000592329 scopus 로고    scopus 로고
    • Phase equilibria of a lattice model for an oil-water-amphiphile mixture
    • Mackie, A. D.; Onur, K.; Panagiotopoulos, A. Z. Phase equilibria of a lattice model for an oil-water-amphiphile mixture J. Chem. Phys. 1996, 104, 3718-3725
    • (1996) J. Chem. Phys. , vol.104 , pp. 3718-3725
    • MacKie, A.D.1    Onur, K.2    Panagiotopoulos, A.Z.3
  • 66
    • 0031234054 scopus 로고    scopus 로고
    • Aggregation behavior of a lattice model for amphiphiles
    • Mackie, A. D.; Panagiotopoulos, A. Z.; Szleifer, I. Aggregation behavior of a lattice model for amphiphiles Langmuir 1997, 13, 5022-5031
    • (1997) Langmuir , vol.13 , pp. 5022-5031
    • MacKie, A.D.1    Panagiotopoulos, A.Z.2    Szleifer, I.3
  • 69
    • 36849137515 scopus 로고
    • Monte-Carlo calculation of the average extension of molecular chains
    • Rosenbluth, M. N.; Rosenbluth, A. W. Monte-Carlo calculation of the average extension of molecular chains J. Chem. Phys. 1955, 23, 356-359
    • (1955) J. Chem. Phys. , vol.23 , pp. 356-359
    • Rosenbluth, M.N.1    Rosenbluth, A.W.2
  • 70
    • 78650612270 scopus 로고
    • Configurational bias Monte-Carlo - A new sampling scheme for flexible chains
    • Siepmann, J. I.; Frenkel, D. Configurational bias Monte-Carlo-a new sampling scheme for flexible chains Mol. Phys. 1992, 75, 59-70
    • (1992) Mol. Phys. , vol.75 , pp. 59-70
    • Siepmann, J.I.1    Frenkel, D.2
  • 72
    • 33747349191 scopus 로고
    • Nonuniversal critical-dynamics in Monte-Carlo simulations
    • Swendsen, R. H.; Wang, J. S. Nonuniversal critical-dynamics in Monte-Carlo simulations Phys. Rev. Lett. 1987, 58, 86-88
    • (1987) Phys. Rev. Lett. , vol.58 , pp. 86-88
    • Swendsen, R.H.1    Wang, J.S.2
  • 73
    • 5544308012 scopus 로고
    • Electrostatic analogy for surfactant assemblies
    • Wu, D.; Chandler, D.; Smit, B. Electrostatic analogy for surfactant assemblies J. Phys. Chem. 1992, 96, 4077-4083
    • (1992) J. Phys. Chem. , vol.96 , pp. 4077-4083
    • Wu, D.1    Chandler, D.2    Smit, B.3
  • 75
    • 79959990823 scopus 로고    scopus 로고
    • Quantitative mechanistic modeling of silica solubility and precipitation during the initial period of zeolite synthesis
    • White, C. E.; Provis, J. L.; Proffen, T.; van Deventer, J. S. J. Quantitative mechanistic modeling of silica solubility and precipitation during the initial period of zeolite synthesis J. Phys. Chem. C 2011, 115, 9879-9888
    • (2011) J. Phys. Chem. C , vol.115 , pp. 9879-9888
    • White, C.E.1    Provis, J.L.2    Proffen, T.3    Van Deventer, J.S.J.4
  • 76
    • 25844483821 scopus 로고    scopus 로고
    • Physical basis for the formation and stability of silica nanoparticles in basic solutions of monovalent cations
    • Rimer, J. D.; Lobo, R. F.; Vlachos, D. G. Physical basis for the formation and stability of silica nanoparticles in basic solutions of monovalent cations Langmuir 2005, 21, 8960-8971
    • (2005) Langmuir , vol.21 , pp. 8960-8971
    • Rimer, J.D.1    Lobo, R.F.2    Vlachos, D.G.3
  • 77
    • 0023309787 scopus 로고
    • Hydrolysis and condensation of silicates: Effects on structure
    • Brinker, C. J. Hydrolysis and condensation of silicates: Effects on structure J. Non-Cryst. Solids 1988, 100, 31-50
    • (1988) J. Non-Cryst. Solids , vol.100 , pp. 31-50
    • Brinker, C.J.1
  • 78
    • 0001155449 scopus 로고
    • Percolation and cluster distribution 0.1. Cluster multiple labeling technique and critical concentration algorithm
    • Hoshen, J.; Kopelman, R. Percolation and cluster distribution 0.1. Cluster multiple labeling technique and critical concentration algorithm Phys. Rev. B 1976, 14, 3438-3445
    • (1976) Phys. Rev. B , vol.14 , pp. 3438-3445
    • Hoshen, J.1    Kopelman, R.2
  • 79
    • 0036604037 scopus 로고    scopus 로고
    • Efficient algorithm for primitive ring statistics in topological networks
    • Yuan, X. L.; Cormack, A. N. Efficient algorithm for primitive ring statistics in topological networks Comput. Mater. Sci. 2002, 24, 343-360
    • (2002) Comput. Mater. Sci. , vol.24 , pp. 343-360
    • Yuan, X.L.1    Cormack, A.N.2
  • 81
    • 0347292989 scopus 로고    scopus 로고
    • Auerbach, S. M. Carrado, K. A. Dutta, P. K. Dekker Inc. New York
    • Lobo, R. F. In Handbook of zeolite science and technology; Auerbach, S. M.; Carrado, K. A.; Dutta, P. K., Eds.; Dekker Inc.: New York, 2003; pp 65-128.
    • (2003) Handbook of Zeolite Science and Technology , pp. 65-128
    • Lobo, R.F.1
  • 82
    • 13744250224 scopus 로고    scopus 로고
    • Intermediate-range order in Vitreous SiO2 and GeO2
    • Kohara, S.; Suzuya, K. Intermediate-range order in Vitreous SiO2 and GeO2 J. Phys.: Condens. Matter 2005, 17, S77-S86
    • (2005) J. Phys.: Condens. Matter , vol.17
    • Kohara, S.1    Suzuya, K.2
  • 83
    • 0032804118 scopus 로고    scopus 로고
    • Pore size distributions in porous glasses: A computer simulation study
    • Gelb, L. D.; Gubbins, K. E. Pore size distributions in porous glasses: A computer simulation study Langmuir 1999, 15, 305-308
    • (1999) Langmuir , vol.15 , pp. 305-308
    • Gelb, L.D.1    Gubbins, K.E.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.