Publications related to Reaction rate constant

Extent-based incremental identification of reaction systems – Minimal number of measurements for full state reconstruction

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

The identification of kinetic models is an essential step for the monitoring, control and optimization of industrial processes. This is particularly true for the chemical and pharmaceutical industries, where the current trend of strong competition calls fo ...

2012

Extent-based incremental identification of reaction kinetics from spectroscopic data

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

Identification of kinetic models is an important step for the monitoring, control and optimization of chemical and pharmaceutical processes. Furthermore, the availability of a first-principles model often leads to substantial reduction in process developme ...

2012

Ethynyl Benziodoxolones for the Direct Alkynylation of Heterocycles: Structural Requirement, Improved Procedure for Pyrroles, and Insights into the Mechanism

Rosario Scopelliti, Jérôme Waser, Jonathan Brand

This report describes a full study of the gold-catalyzed direct alkynylation of indoles, pyrroles, and thiophenes using alkynyl hypervalent iodine reagents, especially the study of the structural requirements of alkynyl benziodoxolones for an efficient ace ...

2012

Nucleation and Island Growth of Alkanethiolate Ligand Domains on Gold Nanoparticles

Francesco Stellacci, Yue Wang

The metal oxide cluster alpha-AIW(11)O(39)(9-) (1), readily imaged by cryogenic transmission electron microscopy (cryo-TEM), is used as a diagnostic protecting anion to investigate the self-assembly of alkanethiolate monolayers on electrostatically stabili ...

American Chemical Society2012

Lanthanide Complexes Formed with the Tri- and Tetraacetate Derivatives of Bis(aminomethyl)phosphinic Acid: Equilibrium, Kinetic and NMR Spectroscopic Studies

André Merbach, Eva Jakab Toth, Laurent Quebatte

The lanthanide(III) complexes formed with the tri- and tetraacetate derivatives of bis(aminomethyl)phosphinic acid, L1 and L2, respectively, have been studied by pH potentiometry, spectrophotometry and 1H and 17O NMR spectroscopy. L1 forms [Ln(L1)], [Ln(L1 ...

Wiley-Blackwell2012

Combined Density Functional Theory and Monte Carlo Analysis of Monomolecular Cracking of Light Alkanes Over H-ZSM-5

Berend Smit

Density functional calculations applying periodic boundary conditions have been performed to investigate adsorption and cracking of light alkanes (C 3-C 6) on zeolite H-ZSM-5. Intrinsic energy barriers were obtained from single-point calculations by applyi ...

American Chemical Society2012

Kinetics of the Decomposition of Hydrogen Sulfide in a Dielectric Barrier Discharge Reactor

Albert Renken, Lioubov Kiwi

Kinetics of hydrogen sulfide (H2S) decomposition to hydrogen and sulfur was investigated in a nonthermal plasma dielectric barrier discharge (NTP-DBD) reactor operated under ambient conditions. The reactions were carried out with a fixed flow rate and vary ...

Wiley-Blackwell2012

Speciation-dependent kinetics of uranium(VI) bioreduction

Rizlan Bernier-Latmani, Harish Veeramani

The kinetics of uranium(VI) reduction by Shewanella oneidensis strain MR-1 was studied for varied pH and concentrations of dissolved inorganic carbon (DIC) and calcium. These are key variables affecting U(VI) speciation in aqueous systems. For all conditio ...

Taylor & Francis2011

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Reaction rate constant

Extent-based incremental identification of reaction systems – Minimal number of measurements for full state reconstruction

Experimental investigation of moderator density variation effects in an SCWR-like fuel lattice

Extent-based incremental identification of reaction kinetics from spectroscopic data

Ethynyl Benziodoxolones for the Direct Alkynylation of Heterocycles: Structural Requirement, Improved Procedure for Pyrroles, and Insights into the Mechanism

Neutronics Experiments and Analysis Related to Strong Moderation Heterogeneity in LWRs

Nucleation and Island Growth of Alkanethiolate Ligand Domains on Gold Nanoparticles

Lanthanide Complexes Formed with the Tri- and Tetraacetate Derivatives of Bis(aminomethyl)phosphinic Acid: Equilibrium, Kinetic and NMR Spectroscopic Studies

Combined Density Functional Theory and Monte Carlo Analysis of Monomolecular Cracking of Light Alkanes Over H-ZSM-5

Kinetics of the Decomposition of Hydrogen Sulfide in a Dielectric Barrier Discharge Reactor

Speciation-dependent kinetics of uranium(VI) bioreduction

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Nucleation and Island Growth of Alkanethiolate Ligand Domains on Gold Nanoparticles

Neutronics Experiments and Analysis Related to Strong Moderation Heterogeneity in LWRs

Speciation-dependent kinetics of uranium(VI) bioreduction

Lanthanide Complexes Formed with the Tri- and Tetraacetate Derivatives of Bis(aminomethyl)phosphinic Acid: Equilibrium, Kinetic and NMR Spectroscopic Studies

Ethynyl Benziodoxolones for the Direct Alkynylation of Heterocycles: Structural Requirement, Improved Procedure for Pyrroles, and Insights into the Mechanism

Kinetics of the Decomposition of Hydrogen Sulfide in a Dielectric Barrier Discharge Reactor

Extent-based incremental identification of reaction systems – Minimal number of measurements for full state reconstruction

Combined Density Functional Theory and Monte Carlo Analysis of Monomolecular Cracking of Light Alkanes Over H-ZSM-5

Extent-based incremental identification of reaction kinetics from spectroscopic data

Experimental investigation of moderator density variation effects in an SCWR-like fuel lattice