Concept

Chemical process

Related publications (104)

Formation and aging of secondary organic aerosol from toluene: changes in chemical composition, volatility, and hygroscopicity

Secondary organic aerosol (SOA) is transformed after its initial formation, but this chemical aging of SOA is poorly understood. Experiments were conducted in the Carnegie Mellon environmental chamber to form secondary organic aerosol (SOA) from the photo- ...

2015

Evaluation and analysis of vibrationally resolved electronic spectra with ab initio semiclassical dynamics

Marius Wehrle

Linear and nonlinear spectroscopy techniques are widely used to study numerous important chemical and physical processes. However, the interpretation of these experimental spectra often becomes very complicated because a particular spectrum constitutes a m ...

EPFL2015

In situ synthesis and simulation of polydisperse amphiphilic membranes

Lida Kanari, Julian Charles Shillcock, Liesbeth Maria L Vanherpe, Guy Antoine Atenekeng Kahou, Juan Pablo Palacios

The field of coarse-grained simulations of biopolymers and membranes has grown rapidly in recent years. Industrial groups manufacture and use polymers in fields as diverse as chemicals processing and personal care products, while academic researchers are i ...

Springer India2015

Storage selection functions: A coherent framework for quantifying how catchments store and release water and solutes

Andrea Rinaldo, Paolo Benettin, Enrico Bertuzzo, Gianluca Botter

We discuss a recent theoretical approach combining catchment-scale flow and transport processes into a unified framework. The approach is designed to characterize the hydrochemistry of hydrologic systems and to meet the challenges posed by empirical eviden ...

Amer Geophysical Union2015

Low Temperature Chemical Vapor Deposition Using Atomic Layer Deposition Chemistry

Patrik Willi Hoffmann, Yury Kuzminykh, Michael Oliver Reinke

Chemical vapor deposition (CVD) techniques rely on high temperatures to activate the chemical decomposition of precursors on the substrate surface. Lower temperatures are applied in atomic layer deposition (ALD), where deliberate pyrolysis of the precursor ...

American Chemical Society2015

Integrating Rate Based Models into a Multi-Objective Process Design & Optimisation Framework using Surrogate Models

Levent Sinan Teske

In the development of energy and chemical processes, the process engineers extensively apply computer aided methods to design & optimise these processes and corresponding process units. Such applications are multi-scale modelling and multi-objective optimi ...

EPFL2014

Lipolytic biocatalyst based on recyclable magnetite-polysiloxane nanoparticles

This work presents a novel hydrophobic magnetizable nanosupport able to load and valorize the lipase derived from Candida cylindracea (CCL). Nude magnetite nanoparticles (MP) were coated by covalent binding with an ester-polysiloxane (PS). The chemical com ...

Elsevier Science Bv2014

On-the-fly ab initio semiclassical dynamics: Identifying degrees of freedom essential for emission spectra of oligothiophenes

Jiri Vanicek, Miroslav Sulc, Marius Wehrle

Vibrationally resolved spectra provide a stringent test of the accuracy of theoretical calculations. We combine the thawed Gaussian approximation (TGA) with an on-the-fly ab initio (OTF-AI) scheme to calculate the vibrationally resolved emission spectra of ...

American Institute of Physics2014

Comprehensive kinetic model for the dissolution, reaction and crystallization processes involved in the synthesis of aspirin

Julien Léo Billeter

Kinetic modeling of batch reactions monitored by in-situ spectroscopy has been shown to be a helpful method for developing a complete understanding of reaction systems. Much work has been done to demonstrate the ability to model dissolution, reaction and c ...

Wiley-Blackwell2014

Structural models of activated gamma-alumina surfaces revisited: Thermodynamics, NMR and IR spectroscopies from ab initio calculations

The activation of highly catalytic gamma-alumina surfaces by thermal treatment and the description of the related chemical processes at atomic scale is a topical issue. According to a recent study [J. Am. Chem. Soc. 134 (2012) 14430], the enhanced reactivi ...

Elsevier Science Bv2013

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