Molecular interactions of alcohols with zeolite BEA and MOR frameworks

Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments

(2013) Albert Rimola et al.   CHEMICAL REVIEWS

Adsorptive separations for the recovery and purification of biobutanol

(2012) J. Cousin Saint Remi et al.   ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY

Desorption of butanol from zeolite material

(2012) A. Oudshoorn et al.   BIOCHEMICAL ENGINEERING JOURNAL

Modeling van der Waals Interactions in Zeolites with Periodic DFT: Physisorption of n-Alkanes in ZSM-22

(2012) Rasmus Y. Brogaard et al.   CATALYSIS LETTERS

Improvement in the bioreactor specific productivity by coupling continuous reactor with repeated fed-batch reactor for acetone–butanol–ethanol production

(2012) Mpho Setlhaku et al.   JOURNAL OF BIOTECHNOLOGY

Effects of nutritional enrichment on the production of acetone-butanol-ethanol (ABE) by Clostridium acetobutylicum

(2012) Sung Jun Choi et al.   JOURNAL OF MICROBIOLOGY

Molecular Simulation of Propane Adsorption in FAU Zeolites

(2012) Junfang Zhang et al.   Journal of Physical Chemistry C

Adsorption of Methyl Tertiary Butyl Ether and Trichloroethylene in MFI-Type Zeolites

(2012) Eren Güvenç et al.   Journal of Physical Chemistry C

An Experimental and Computational Study of the Loading and Release of Aspirin from Zeolite HY

(2012) Ashish Datt et al.   Journal of Physical Chemistry C

Efficient Approach for the Computational Study of Alcohol and Nitrile Adsorption in H-ZSM-5

(2012) Jeroen Van der Mynsbrugge et al.   Journal of Physical Chemistry C

Adsorption of Water and Ethanol in MFI-Type Zeolites

(2012) Ke Zhang et al.   LANGMUIR

Molecular Screening of Alcohol and Polyol Adsorption onto MFI-Type Zeolites

(2012) Ruichang Xiong et al.   LANGMUIR

Multicomponent Adsorption of Alcohols onto Silicalite-1 from Aqueous Solution: Isotherms, Structural Analysis, and Assessment of Ideal Adsorbed Solution Theory

(2012) Peng Bai et al.   LANGMUIR

Separation of ethanol–water liquid mixtures by adsorption on silicalite

(2011) José A. Delgado et al.   CHEMICAL ENGINEERING JOURNAL

noloco: An efficient implementation of van der Waals density functionals based on a Monte-Carlo integration technique

(2011) Dmitrii Nabok et al.   COMPUTER PHYSICS COMMUNICATIONS

Correlations for Adsorption of Oxygenates onto Zeolites from Aqueous Solutions

(2011) Elizabeth E. Mallon et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Adsorption and Separation of C1−C8 Alcohols on SAPO-34

(2011) Tom Remy et al.   Journal of Physical Chemistry C

Theoretical Study of the Adsorption of the Butanol Isomers in H-ZSM-5

(2011) Cuong M. Nguyen et al.   Journal of Physical Chemistry C

Alcohol Adsorption onto Silicalite from Aqueous Solution

(2011) Ruichang Xiong et al.   Journal of Physical Chemistry C

Structures and reaction mechanisms of glycerol dehydration over H-ZSM-5 zeolite: a density functional theory study

(2011) Kanokwan Kongpatpanich et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Driving Forces for Adsorption of Polyols onto Zeolites from Aqueous Solutions

(2010) Elizabeth E. Mallon et al.   JOURNAL OF PHYSICAL CHEMISTRY B

First Principle Kinetic Studies of Zeolite-Catalyzed Methylation Reactions

(2010) Veronique Van Speybroeck et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical study of the adsorption of C1–C4 primary alcohols in H-ZSM-5

(2010) Cuong M. Nguyen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Adsorption equilibria of bio-based butanol solutions using zeolite

(2009) Arjan Oudshoorn et al.   BIOCHEMICAL ENGINEERING JOURNAL

Recovery of 1-butanol from aqueous solutions using zeolite ZSM-5 with a high Si/Al ratio; suitability of a column process for industrial applications

(2009) V. Saravanan et al.   BIOCHEMICAL ENGINEERING JOURNAL

Assessment of Options for Selective 1-Butanol Recovery from Aqueous Solution

(2009) Arjan Oudshoorn et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Molecular Simulation of Water/Alcohol Mixtures’ Adsorption and Diffusion in Zeolite 4A Membranes

(2009) Jian Yang Wu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Chemical accuracy for the van der Waals density functional

(2009) Jiří Klimeš et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Protonation of water clusters in the cavities of acidic zeolites: (H2O)n·H-chabazite, n = 1–4

(2009) Mikhail V. Vener et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

In situ product recovery ofn-butanol using polymeric resins

(2008) David R. Nielsen et al.   BIOTECHNOLOGY AND BIOENGINEERING

Application of semiempirical long-range dispersion corrections to periodic systems in density functional theory

(2008) Torsten Kerber et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Quantum Chemical Modeling of Zeolite-Catalyzed Methylation Reactions: Toward Chemical Accuracy for Barriers

(2008) Stian Svelle et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY