161. Desbiens N, Boutin A, Demachy I (2005) Water condensation in hydrophobic silicalite-1
zeolite: a molecular simulation study. J Phys Chem B 109:24071–24076. https://doi.org/10.
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162. Desbiens N, Demachy I, Fuchs AH et al (2005) Water condensation in hydrophobic
nanopores. Angew Chem Int Ed 44:5310–5313. https://doi.org/10.1002/anie.200501250
163. Pellenq RJM, Roussel T, Puibasset J (2008) Molecular simulations of water in hydrophobic
microporous solids. Adsorption 14:733–742. https://doi.org/10.1007/s10450-008-9135-8
164. Puibasset J, Pellenq RJM (2008) Grand canonical Monte Carlo simulation study of water
adsorption in silicalite at 300 K. J Phys Chem B 112:6390–6397. https://doi.org/10.1021/
jp7097153
165. Guth JL, Kessler H (1999) Catalysis and zeolites – fundamentals and applications. In:
Weitkamp J, Puppe L (eds) Catalysis and zeolites. Springer, Berlin. https://doi.org/10.1007/
978-3-662-03764-5
166. Guth JL, Kessler H, Higel JM, et al (1989) Zeolite synthesis in the presence of fluoride ions. In:
ACS symposium series. Zeolite synthesis, vol 398. pp 176–195. https://doi.org/10.1021/bk1989-0398.ch013
167. Ahunbay MG (2011) Monte Carlo simulation of water adsorption in hydrophobic MFI zeolites
with hydrophilic sites. Langmuir 27:4986–4993. https://doi.org/10.1021/la200685c
168. Rouquerol F, Rouquerol J, Sing K (1999) Adsorption at the liquid–solid interface: thermodynamics and methodology. In: Adsorption by powders and porous solids – principles, methodology and applications. Academic Press, London, pp 117–163
169. Dejaco RF, Bai P, Tsapatsis M, Siepmann JI (2016) Adsorptive separation of 1-butanol from
aqueous solutions using MFI-and FER-type zeolite frameworks: a Monte Carlo study. Langmuir 32:2093–2101. https://doi.org/10.1021/acs.langmuir.5b04483
170. Caro J, Bülow M, Richter-Mendau J et al (1987) Nuclear magnetic resonance self-diffusion
studies of methanol-water mixtures in pentasil-type zeolites. J Chem Soc Faraday Trans 1 Phys
Chem Condens Phases 83:1843–1849. https://doi.org/10.1039/F19878301843
171. Nayak VS, Moffat JB (1988) Sorption and diffusion of alcohols in heteropoly oxometalates
and ZSM-5 zeolite. J Phys Chem 92:7097–7102. https://doi.org/10.1021/j100336a014
172. Choudhary VR, Mamman AS, Nayak VS (1989) Mass transfer of liquid cumene in ZSM-5
zeolites using a novel volumetric apparatus. Ind Eng Chem Res 28:1241–1245. https://doi.org/
10.1021/ie00092a019
173. Choudhary VR, Singh AP (1986) Sorption capacity and diffusion of pure liquids in ZSM-5
type zeolites. Zeolites 6:206–208. https://doi.org/10.1016/0144-2449(86)90049-7
174. Demontis P, Stara G, Suffritti GB (2003) Behavior of water in the hydrophobic zeolite
silicalite at different temperatures. A molecular dynamics study. J Phys Chem B
107:4426–4436. https://doi.org/10.1021/jp0300849
175. Fleys M, Thompson RW, MacDonald JC (2004) Comparison of the behavior of water in
silicalite and dealuminated zeolite y at different temperatures by molecular dynamic simulations. J Phys Chem B 108:12197–12203. https://doi.org/10.1021/jp040229r
176. Bussai C, Vasenkov S, Liu H et al (2002) On the diffusion of water in silicalite-1: MD
simulations using ab initio fitted potential and PFG NMR measurements. Appl Catal A Gen
232:59–66. https://doi.org/10.1016/S0926-860X(02)00066-2
177. Yu M, Falconer JL, Noble RD, Krishna R (2007) Modeling transient permeation of polar
organic mixtures through a MFI zeolite membrane using the Maxwell-Stefan equations. J
Membr Sci 293:167–173. https://doi.org/10.1016/j.memsci.2007.02.015
178. Holtzapple MT, Brown RF (1994) Conceptual design for a process to recover volatile solutes
from aqueous solutions using silicalite. Sep Technol 4:213–229. https://doi.org/10.1016/09569618(94)80025-1
179. Huang HJ, Ramaswamy S, Tschirner UW, Ramarao BV (2008) A review of separation
technologies in current and future biorefineries. Sep Purif Technol 62:1–21. https://doi.org/
10.1016/j.seppur.2007.12.011
Efficient Downstream Processing of Renewable Alcohols Using Zeolite Adsorbents
117
zeolite: a molecular simulation study. J Phys Chem B 109:24071–24076. https://doi.org/10.
1021/jp054168o
162. Desbiens N, Demachy I, Fuchs AH et al (2005) Water condensation in hydrophobic
nanopores. Angew Chem Int Ed 44:5310–5313. https://doi.org/10.1002/anie.200501250
163. Pellenq RJM, Roussel T, Puibasset J (2008) Molecular simulations of water in hydrophobic
microporous solids. Adsorption 14:733–742. https://doi.org/10.1007/s10450-008-9135-8
164. Puibasset J, Pellenq RJM (2008) Grand canonical Monte Carlo simulation study of water
adsorption in silicalite at 300 K. J Phys Chem B 112:6390–6397. https://doi.org/10.1021/
jp7097153
165. Guth JL, Kessler H (1999) Catalysis and zeolites – fundamentals and applications. In:
Weitkamp J, Puppe L (eds) Catalysis and zeolites. Springer, Berlin. https://doi.org/10.1007/
978-3-662-03764-5
166. Guth JL, Kessler H, Higel JM, et al (1989) Zeolite synthesis in the presence of fluoride ions. In:
ACS symposium series. Zeolite synthesis, vol 398. pp 176–195. https://doi.org/10.1021/bk1989-0398.ch013
167. Ahunbay MG (2011) Monte Carlo simulation of water adsorption in hydrophobic MFI zeolites
with hydrophilic sites. Langmuir 27:4986–4993. https://doi.org/10.1021/la200685c
168. Rouquerol F, Rouquerol J, Sing K (1999) Adsorption at the liquid–solid interface: thermodynamics and methodology. In: Adsorption by powders and porous solids – principles, methodology and applications. Academic Press, London, pp 117–163
169. Dejaco RF, Bai P, Tsapatsis M, Siepmann JI (2016) Adsorptive separation of 1-butanol from
aqueous solutions using MFI-and FER-type zeolite frameworks: a Monte Carlo study. Langmuir 32:2093–2101. https://doi.org/10.1021/acs.langmuir.5b04483
170. Caro J, Bülow M, Richter-Mendau J et al (1987) Nuclear magnetic resonance self-diffusion
studies of methanol-water mixtures in pentasil-type zeolites. J Chem Soc Faraday Trans 1 Phys
Chem Condens Phases 83:1843–1849. https://doi.org/10.1039/F19878301843
171. Nayak VS, Moffat JB (1988) Sorption and diffusion of alcohols in heteropoly oxometalates
and ZSM-5 zeolite. J Phys Chem 92:7097–7102. https://doi.org/10.1021/j100336a014
172. Choudhary VR, Mamman AS, Nayak VS (1989) Mass transfer of liquid cumene in ZSM-5
zeolites using a novel volumetric apparatus. Ind Eng Chem Res 28:1241–1245. https://doi.org/
10.1021/ie00092a019
173. Choudhary VR, Singh AP (1986) Sorption capacity and diffusion of pure liquids in ZSM-5
type zeolites. Zeolites 6:206–208. https://doi.org/10.1016/0144-2449(86)90049-7
174. Demontis P, Stara G, Suffritti GB (2003) Behavior of water in the hydrophobic zeolite
silicalite at different temperatures. A molecular dynamics study. J Phys Chem B
107:4426–4436. https://doi.org/10.1021/jp0300849
175. Fleys M, Thompson RW, MacDonald JC (2004) Comparison of the behavior of water in
silicalite and dealuminated zeolite y at different temperatures by molecular dynamic simulations. J Phys Chem B 108:12197–12203. https://doi.org/10.1021/jp040229r
176. Bussai C, Vasenkov S, Liu H et al (2002) On the diffusion of water in silicalite-1: MD
simulations using ab initio fitted potential and PFG NMR measurements. Appl Catal A Gen
232:59–66. https://doi.org/10.1016/S0926-860X(02)00066-2
177. Yu M, Falconer JL, Noble RD, Krishna R (2007) Modeling transient permeation of polar
organic mixtures through a MFI zeolite membrane using the Maxwell-Stefan equations. J
Membr Sci 293:167–173. https://doi.org/10.1016/j.memsci.2007.02.015
178. Holtzapple MT, Brown RF (1994) Conceptual design for a process to recover volatile solutes
from aqueous solutions using silicalite. Sep Technol 4:213–229. https://doi.org/10.1016/09569618(94)80025-1
179. Huang HJ, Ramaswamy S, Tschirner UW, Ramarao BV (2008) A review of separation
technologies in current and future biorefineries. Sep Purif Technol 62:1–21. https://doi.org/
10.1016/j.seppur.2007.12.011
Efficient Downstream Processing of Renewable Alcohols Using Zeolite Adsorbents
117