标题
A perspective on the modeling of biomass processing
作者
关键词
-
出版物
Energy & Environmental Science
Volume 5, Issue 5, Pages 6703
出版商
Royal Society of Chemistry (RSC)
发表日期
2012-01-10
DOI
10.1039/c2ee02663e
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Adsorption of Acid, Ester, and Ether Functional Groups on Pt: Fast Prediction of Thermochemical Properties of Adsorbed Oxygenates via DFT-Based Group Additivity Methods
- (2012) M. Salciccioli et al. Journal of Physical Chemistry C
- Converting fructose to 5-hydroxymethylfurfural: a quantum mechanics/molecular mechanics study of the mechanism and energetics
- (2011) Stavros Caratzoulas et al. CARBOHYDRATE RESEARCH
- A review of multiscale modeling of metal-catalyzed reactions: Mechanism development for complexity and emergent behavior
- (2011) M. Salciccioli et al. CHEMICAL ENGINEERING SCIENCE
- Theoretical Studies on Interaction Between Methanol and Functionalized Single-Walled Carbon Nanotubes
- (2011) M.D Ganji et al. COMMUNICATIONS IN THEORETICAL PHYSICS
- Biomass Pyrolysis and Gasification of Varying Particle Sizes in a Fluidized-Bed Reactor
- (2011) Katherine R. Gaston et al. ENERGY & FUELS
- Correlations for Adsorption of Oxygenates onto Zeolites from Aqueous Solutions
- (2011) Elizabeth E. Mallon et al. JOURNAL OF PHYSICAL CHEMISTRY B
- An Efficient Reaction Pathway Search Method Applied to the Decomposition of Glycerol on Platinum
- (2011) Y. Chen et al. Journal of Physical Chemistry C
- Differentiation of O–H and C–H Bond Scission Mechanisms of Ethylene Glycol on Pt and Ni/Pt Using Theory and Isotopic Labeling Experiments
- (2011) Michael Salciccioli et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Molecular dynamics investigation of the self-diffusion of binary mixture diffusion in the metal-organic framework Zn(tbip) accounting for framework flexibility
- (2011) K. Seehamart et al. MICROPOROUS AND MESOPOROUS MATERIALS
- Computational-based catalyst design for thermochemical transformations
- (2011) Giannis Mpourmpakis et al. MRS BULLETIN
- Mechanistic and spectroscopic identification of initial reaction intermediates for prenal decomposition on a platinum model catalyst
- (2011) J. Haubrich et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Kinetic Modeling of Pt Catalyzed and Computation-Driven Catalyst Discovery for Ethylene Glycol Decomposition
- (2011) M. Salciccioli et al. ACS Catalysis
- Understanding and Controlling Reactivity of Unsaturated Oxygenates and Polyols on Metal Catalysts
- (2011) J. Will Medlin ACS Catalysis
- “One-Pot” Synthesis of 5-(Hydroxymethyl)furfural from Carbohydrates using Tin-Beta Zeolite
- (2011) Eranda Nikolla et al. ACS Catalysis
- Adsorption and Reaction of Furfural and Furfuryl Alcohol on Pd(111): Unique Reaction Pathways for Multifunctional Reagents
- (2011) Simon H. Pang et al. ACS Catalysis
- Catalysis Center for Energy Innovation for Biomass Processing: Research Strategies and Goals
- (2010) Dionisios G. Vlachos et al. CATALYSIS LETTERS
- Universal Brønsted-Evans-Polanyi Relations for C–C, C–O, C–N, N–O, N–N, and O–O Dissociation Reactions
- (2010) Shengguang Wang et al. CATALYSIS LETTERS
- Kinetics and mechanism of hydrogenation of furfural on Cu/SiO2 catalysts
- (2010) Surapas Sitthisa et al. JOURNAL OF CATALYSIS
- Potential Model Development Using Quantum Chemical Information for Molecular Simulation of Adsorption Equilibria of Water−Methanol (Ethanol) Mixtures in Zeolite NaA-4
- (2010) Éva Csányi et al. Journal of Physical Chemistry C
- Adsorption and Diffusion of Water, Methanol, and Ethanol in All-Silica DD3R: Experiments and Simulations
- (2010) Jelan Kuhn et al. Journal of Physical Chemistry C
- Reaction Kinetics of Ethylene Glycol Reforming over Platinum in the Vapor versus Aqueous Phases
- (2010) Shampa Kandoi et al. Journal of Physical Chemistry C
- Molecular Understanding for the Adsorption of Water and Alcohols in Hydrophilic and Hydrophobic Zeolitic Metal−Organic Frameworks
- (2010) A. Nalaparaju et al. Journal of Physical Chemistry C
- Density Functional Theory-Derived Group Additivity and Linear Scaling Methods for Prediction of Oxygenate Stability on Metal Catalysts: Adsorption of Open-Ring Alcohol and Polyol Dehydrogenation Intermediates on Pt-Based Metals
- (2010) M. Salciccioli et al. Journal of Physical Chemistry C
- Hydrogen Bonding Effects in Adsorption of Water−Alcohol Mixtures in Zeolites and the Consequences for the Characteristics of the Maxwell−Stefan Diffusivities
- (2010) Rajamani Krishna et al. LANGMUIR
- Using first principles to predict bimetallic catalysts for the ammonia decomposition reaction
- (2010) Danielle A. Hansgen et al. Nature Chemistry
- Tin-containing zeolites are highly active catalysts for the isomerization of glucose in water
- (2010) M. Moliner et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Self-Diffusion of Water and Simple Alcohols in Single-Walled Aluminosilicate Nanotubes
- (2009) Ji Zang et al. ACS Nano
- Fast Prediction of Selectivity in Heterogeneous Catalysis from Extended Brønsted-Evans-Polanyi Relations: A Theoretical Insight
- (2009) David Loffreda et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Bimetallic PtSn catalyst for the selective hydrogenation of furfural to furfuryl alcohol in liquid-phase
- (2009) Andrea B. Merlo et al. CATALYSIS COMMUNICATIONS
- Reactivity Theory of Transition-Metal Surfaces: A Brønsted−Evans−Polanyi Linear Activation Energy−Free-Energy Analysis
- (2009) Rutger A. van Santen et al. CHEMICAL REVIEWS
- Trend in the CC and CO bond hydrogenation of acrolein on Pt–M (M=Ni, Co, Cu) bimetallic surfaces
- (2009) Luis E. Murillo et al. JOURNAL OF CATALYSIS
- Quantum chemical investigation of the adsorption of methanol on a cluster model of faujasite
- (2009) Jan Sielk et al. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Molecular Modeling of Glucose Diffusivity in Silica Nanochannels
- (2009) Arturas Ziemys et al. JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
- Adsorption of α,β-Unsaturated Aldehydes on Pt(111) and Pt−Sn Alloys: II. Crotonaldehyde
- (2009) J. Haubrich et al. Journal of Physical Chemistry C
- Adsorption and Diffusion of Water, Methanol, and Ethanol in All-Silica DD3R: Experiments and Simulation
- (2009) Jelan Kuhn et al. Journal of Physical Chemistry C
- Potential Model Development Using Quantum Chemical Information for Molecular Simulation of Adsorption Equilibria of Water−Methanol (Ethanol) Mixtures in Zeolite NaA-4
- (2009) Éva Csányi et al. Journal of Physical Chemistry C
- Simulating of alcohol adsorption in slitlike micropores of active carbon by the molecular dynamics method
- (2008) A. M. Tolmachev et al. COLLOID JOURNAL
- Adsorption of methanol on the nanocrystalline H–zeolite and alkali metal exchanged M–zeolites: Energetic, NBO and QTAIM analyses
- (2007) H. Roohi et al. MICROPOROUS AND MESOPOROUS MATERIALS
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