Forum for Science, Industry and Business

Sponsored by:     3M 
Search our Site:

 

Water leads to chemical that gunks up biofuels production

21.08.2014

Study shows water trips up key chemical reactions that turn plants into fuels, provides scientific principles that can speed up biofuel development

Trying to understand the chemistry that turns plant material into the same energy-rich gasoline and diesel we put in our vehicles, researchers have discovered that water in the conversion process helps form an impurity which, in turn, slows down key chemical reactions. The study, which was reported online at the Journal of the American Chemical Society in July, can help improve processes that produce biofuels from plants.


Planting roots

Bio-oil (right) is produced from biomass (left) through a process called fast pyrolysis.

The study examines the conversion of bio-oil, produced from biomass such as wood chips or grasses, into transportation fuels. Researchers used computer simulations to explore what happens to a common bio-oil byproduct. Water, everywhere during biofuels production, turns the byproduct into an impurity that disrupts and blocks the reactions that lead to biofuels. The results apply not only to water but to related liquids in bio-oil such as alcohols and certain acids.

The study provides a thorough view of the byproduct phenol reacting with catalysts. Catalysts are what chemists use to speed up the reactions that convert plants into fuels, reactions that occurred deep in the Earth over millions of years and gave us the fossil fuels we use today.

"We are getting to the heart of the fundamentals of biofuels catalysis," said co-author Roger Rousseau, a scientist at the Department of Energy's Pacific Northwest National Laboratory. "The work tells us that the impurity is unavoidable and we need to make sure it does not build up enough to interfere. Although this is a very fundamental issue, it points out for us what types of things we can do to help extend the lifetime of the catalysts we are using to make bio-oil."

Grass To Gasoline

To make plant matter into products that come from petroleum — gasoline and plastics — biofuels chemists need to understand every step of the process. To make biofuels, researchers rapidly heat up plant matter in a process called pyrolysis. They then use catalysts to convert the pyrolysis oil into transportation fuels.

The chemistry that occurs leads to the production of precursors to fuels and a byproduct called phenol. Phenol itself isn't too much of a problem in fuels, but it sits in the vat of chemicals and water that are undergoing a variety of reactions and gets converted into molecules called ketones.

Troublesome ketones will link up with others like them and form long chains that gunk up the catalysts and interfere with important reactions. Researchers at PNNL wanted to know the molecular details on how phenol converts to ketone. Ultimately, they discovered, it's not the catalyst's fault.

Catalyst in the Computer

While some ideas existed for how this happens, the team used computers to simulate phenol interacting with catalysts and water to see step-by-step what is going on. To explore water's role in the reaction, they also simulated the same reactions in a vacuum, which puts everything but the solid catalyst in vapor form. They performed these simulations using resources in EMSL, DOE's Environmental Molecular Sciences Laboratory at PNNL.

In the simulations, the catalyst is essentially a piece of metal, either nickel or platinum. The phenol molecules and water molecules randomly bounce or land on the metal surface where bonds break and reform between atoms within molecules by shifting electrons around. In this way, a phenol might transform into a ketone.

The team found that the presence of water dramatically upped the speed with which the final conversion to a ketone happened. In addition, water also affected how the metal catalyst carried its electrons, which in turn affected how well it catalyzed the reaction between phenol and hydrogen atoms that settle on the catalyst's surface.

"I was surprised at the role liquid plays in the reactivity of the metal catalyst," said PNNL's Yeohoon Yoon, a co-author on the study. "We know a lot about these reactions in the gas phase, but almost nothing in the liquid. The principles we've learned can be applied to other catalyst-driven reactions. They will make working in the complex system of real catalysts making real biofuels easier."

And that's the next step. PNNL colleagues at the Bioproducts, Sciences & Engineering Laboratory, a facility located on the Washington State University Tri-Cities campus where PNNL and WSU researchers collaborate, will use this work to guide development of pyrolysis oil transformation into biofuels.

The researchers also presented this work at the American Chemical Society's Annual Meeting in San Francisco on Aug. 12.

This work was supported by the Department of Energy Offices of Science and Energy Efficiency and Renewable Energy.

Reference: Yeohoon Yoon, Roger Rousseau, Robert S. Weber, Donghai Mei, and Johannes A. Lercher. First-principles Study of Phenol Hydrogenation on Pt and Ni Catalysts in Aqueous Phase, J. Am. Chem. Soc., July 2, 2014, DOI: 10.1021/ja501592y.

Tags: Energy, Fundamental Science, Computational Science, EMSL, Biomass, Renewable Energy, Biofuel, Green Energy, Energy Production, Chemistry, Catalysis, Supercomputer, Software

EMSL, the Environmental Molecular Sciences Laboratory, is a national scientific user facility sponsored by the Department of Energy's Office of Science.  Located at Pacific Northwest National Laboratory in Richland, Wash., EMSL offers an open, collaborative environment for scientific discovery to researchers around the world. Its integrated computational and experimental resources enable researchers to realize important scientific insights and create new technologies. Follow EMSL on Facebook, LinkedIn and Twitter.

Interdisciplinary teams at Pacific Northwest National Laboratory address many of America's most pressing issues in energy, the environment and national security through advances in basic and applied science. Founded in 1965, PNNL employs 4,300 staff and has an annual budget of about $950 million. It is managed by Battelle for the U.S. Department of Energy’s Office of Science. As the single largest supporter of basic research in the physical sciences in the United States, the Office of Science is working to address some of the most pressing challenges of our time. For more information on PNNL, visit the PNNL News Center, or follow PNNL on Facebook, Google+, LinkedIn and Twitter.

Mary Beckman | Eurek Alert!

Further reports about: Chemical Energy Environmental Laboratory Molecular PNNL Phenol Science Sciences Water fuels

More articles from Life Sciences:

nachricht Synthetic cells make long-distance calls
17.10.2019 | Rice University

nachricht Gene mutation in the chloride channel triggers rare high blood pressure syndrome
17.10.2019 | Max Delbrück Center for Molecular Medicine in the Helmholtz Association

All articles from Life Sciences >>>

The most recent press releases about innovation >>>

Die letzten 5 Focus-News des innovations-reports im Überblick:

Im Focus: Solving the mystery of quantum light in thin layers

A very special kind of light is emitted by tungsten diselenide layers. The reason for this has been unclear. Now an explanation has been found at TU Wien (Vienna)

It is an exotic phenomenon that nobody was able to explain for years: when energy is supplied to a thin layer of the material tungsten diselenide, it begins to...

Im Focus: An ultrafast glimpse of the photochemistry of the atmosphere

Researchers at Ludwig-Maximilians-Universitaet (LMU) in Munich have explored the initial consequences of the interaction of light with molecules on the surface of nanoscopic aerosols.

The nanocosmos is constantly in motion. All natural processes are ultimately determined by the interplay between radiation and matter. Light strikes particles...

Im Focus: Shaping nanoparticles for improved quantum information technology

Particles that are mere nanometers in size are at the forefront of scientific research today. They come in many different shapes: rods, spheres, cubes, vesicles, S-shaped worms and even donut-like rings. What makes them worthy of scientific study is that, being so tiny, they exhibit quantum mechanical properties not possible with larger objects.

Researchers at the Center for Nanoscale Materials (CNM), a U.S. Department of Energy (DOE) Office of Science User Facility located at DOE's Argonne National...

Im Focus: Novel Material for Shipbuilding

A new research project at the TH Mittelhessen focusses on the development of a novel light weight design concept for leisure boats and yachts. Professor Stephan Marzi from the THM Institute of Mechanics and Materials collaborates with Krake Catamarane, which is a shipyard located in Apolda, Thuringia.

The project is set up in an international cooperation with Professor Anders Biel from Karlstad University in Sweden and the Swedish company Lamera from...

Im Focus: Controlling superconducting regions within an exotic metal

Superconductivity has fascinated scientists for many years since it offers the potential to revolutionize current technologies. Materials only become superconductors - meaning that electrons can travel in them with no resistance - at very low temperatures. These days, this unique zero resistance superconductivity is commonly found in a number of technologies, such as magnetic resonance imaging (MRI).

Future technologies, however, will harness the total synchrony of electronic behavior in superconductors - a property called the phase. There is currently a...

All Focus news of the innovation-report >>>

Anzeige

Anzeige

VideoLinks
Industry & Economy
Event News

International Symposium on Functional Materials for Electrolysis, Fuel Cells and Metal-Air Batteries

02.10.2019 | Event News

NEXUS 2020: Relationships Between Architecture and Mathematics

02.10.2019 | Event News

Optical Technologies: International Symposium „Future Optics“ in Hannover

19.09.2019 | Event News

 
Latest News

Analysis of Galileo's Jupiter entry probe reveals gaps in heat shield modeling

17.10.2019 | Physics and Astronomy

Creating miracles with polymeric fibers

17.10.2019 | Physics and Astronomy

Synthetic cells make long-distance calls

17.10.2019 | Life Sciences

VideoLinks
Science & Research
Overview of more VideoLinks >>>