Lawrence Livermore National Laboratory scientists have shown that water, in hot dense environments, plays an unexpected role in catalyzing complex explosive reactions. A catalyst is a compound that speeds chemical reactions without being consumed. Platinum and enzymes are common catalysts. But water rarely, if ever, acts as a catalyst under ordinary conditions.
Detonations of high explosives made up of oxygen and hydrogen produce water at thousands of degrees Kelvin and up to 100,000 atmospheres of pressure, similar to conditions in the interiors of giant planets.
While the properties of pure water at high pressures and temperatures have been studied for years, this extreme water in a reactive environment has never been studied. Until now.
Using first-principle atomistic simulations of the detonation of the high explosive PETN (pentaerythritol tetranitrate), the team discovered that in water, when one hydrogen atom serves as a reducer and the hydroxide (OH) serves as an oxidizer, the atoms act as a dynamic team that transports oxygen between reaction centers.
"This was news to us," said lead researcher Christine Wu. "This suggests that water also may catalyze reactions in other explosives and in planetary interiors."
This finding is contrary to the current view that water is simply a stable detonation product.
"Under extreme conditions, water is chemically peculiar because of its frequent dissociations," Wu said. "As you compress it to the conditions you'd find in the interior of a planet, the hydrogen of a water molecule starts to move around very fast."
In the molecular dynamic simulations using the Lab's BlueGene L supercomputer, Wu and colleagues Larry Fried, Lin Yang, Nir Goldman and Sorin Bastea found that the hydrogen (H) and hydroxide (OH) atoms in water transport oxygen from nitrogen storage to carbon fuel under PETN detonation conditions (temperatures between 3,000 Kelvin and 4,200 Kelvin). Under both temperature conditions, this "extreme water" served both as an end product and as a key chemical catalyst.
For a molecular high explosive that is made up of carbon, nitrogen, oxygen and hydrogen, such as PETN, the three major gaseous products are water, carbon dioxide and molecular nitrogen.
But to date, the chemical processes leading to these stable compounds are not well understood.
The team found that nitrogen loses its oxygen mostly to hydrogen, not to carbon, even after the concentration of water reaches equilibrium. They also found that carbon atoms capture oxygen mostly from hydroxide, rather than directly from nitrogen monoxide (NO) or nitrogen dioxide (NO_). Meanwhile water disassociated and recombines with hydrogen and hydroxide frequently.
"The water that comes out is part of the energy release mechanism," Wu said. "This catalytic mechanism is completely different from previously proposed decomposition mechanisms for PETN or similar explosives, in which water is just an end product. This new discovery could have implications for scientists studying the interiors of Uranus and Neptune where water is in an extreme form."
The research appears in the premier issue (April 2009) of the new journal Nature Chemistry.
Founded in 1952, Lawrence Livermore National Laboratory is a national security laboratory, with a mission to ensure national security and apply science and technology to the important issues of our time. Lawrence Livermore National Laboratory is managed by Lawrence Livermore National Security, LLC for the U.S. Department of Energy's National Nuclear Security Administration.
Anne Stark | EurekAlert!
Further reports about: > Hydrogen > Oxygen > PETN > Platinum > Security Forum > Water > catalyst > catalyzing complex explosive reactions > chemical process > chemical reaction > chemical reactions > enzymes > giant planet > giant planets > hydroxide > molecular nitrogen > ordinary conditions > pentaerythritol tetranitrate
The birth of a new protein
20.10.2017 | University of Arizona
Building New Moss Factories
20.10.2017 | Albert-Ludwigs-Universität Freiburg im Breisgau
University of Maryland researchers contribute to historic detection of gravitational waves and light created by event
On August 17, 2017, at 12:41:04 UTC, scientists made the first direct observation of a merger between two neutron stars--the dense, collapsed cores that remain...
Seven new papers describe the first-ever detection of light from a gravitational wave source. The event, caused by two neutron stars colliding and merging together, was dubbed GW170817 because it sent ripples through space-time that reached Earth on 2017 August 17. Around the world, hundreds of excited astronomers mobilized quickly and were able to observe the event using numerous telescopes, providing a wealth of new data.
Previous detections of gravitational waves have all involved the merger of two black holes, a feat that won the 2017 Nobel Prize in Physics earlier this month....
Material defects in end products can quickly result in failures in many areas of industry, and have a massive impact on the safe use of their products. This is why, in the field of quality assurance, intelligent, nondestructive sensor systems play a key role. They allow testing components and parts in a rapid and cost-efficient manner without destroying the actual product or changing its surface. Experts from the Fraunhofer IZFP in Saarbrücken will be presenting two exhibits at the Blechexpo in Stuttgart from 7–10 November 2017 that allow fast, reliable, and automated characterization of materials and detection of defects (Hall 5, Booth 5306).
When quality testing uses time-consuming destructive test methods, it can result in enormous costs due to damaging or destroying the products. And given that...
Using a new cooling technique MPQ scientists succeed at observing collisions in a dense beam of cold and slow dipolar molecules.
How do chemical reactions proceed at extremely low temperatures? The answer requires the investigation of molecular samples that are cold, dense, and slow at...
Scientists from the Max Planck Institute of Quantum Optics, using high precision laser spectroscopy of atomic hydrogen, confirm the surprisingly small value of the proton radius determined from muonic hydrogen.
It was one of the breakthroughs of the year 2010: Laser spectroscopy of muonic hydrogen resulted in a value for the proton charge radius that was significantly...
17.10.2017 | Event News
10.10.2017 | Event News
10.10.2017 | Event News
20.10.2017 | Information Technology
20.10.2017 | Materials Sciences
20.10.2017 | Interdisciplinary Research