Hydrocarbon molecules are the main building blocks of crude oil and natural gas, and determining their thermochemical properties is important to understand carbon reservoirs and fluxes in the Earth.
Geologists and geochemists believe that nearly all of the hydrocarbons in commercially produced crude oil and natural gas are formed by the decomposition of the remains of living organisms buried under layers of sediments in the Earth's crust, a region that extends five to 10 miles below the Earth's surface.
But "abiogenic" hydrocarbons of purely chemical deep crustal or mantle origin could occur in some geologic settings, such as rifts or subduction zones, said Giulia Galli, professor of chemistry and of physics at UC Davis and senior author on the study.
"Our simulation study shows that methane molecules can combine to form larger hydrocarbon molecules when exposed to the very high temperatures and pressures of the Earth's upper mantle. We don't say that higher hydrocarbons actually occur under the realistic 'dirty' Earth mantle conditions, but the pressures and temperatures are right," she said.
Galli and her colleagues used the University of California's Mako computer cluster in Berkeley and computers at the Lawrence Livermore National Laboratory to simulate the behavior of carbon and hydrogen atoms at the enormous pressures and temperatures found 40 to 95 miles deep inside the Earth.
They used sophisticated techniques based on first principles (the basic properties of carbon and hydrogen atoms) and the computer software system Qbox, developed at UC Davis by Francois Gygi, a professor in the Department of Computer Science.
The researchers found that hydrocarbons with multiple carbon atoms can form from methane, (a molecule with only one carbon and four hydrogen atoms) at temperatures greater than 1,500 K (2,240 degrees F) and pressures 50,000 times those at the Earth's surface, conditions found about 70 miles below the surface.
"In the simulation, interactions with metal or carbon surfaces allowed the process to occur faster; they act as 'catalysts'," said Leonardo Spanu, assistant researcher at UC Davis and the first author of the paper.
The research does not address whether hydrocarbons formed that deep in the Earth could migrate closer to the surface and contribute to exploitable oil or gas deposits. However, the study is fundamentally important because it points to possible microscopic mechanisms of hydrocarbon formation under very high temperatures and pressures.
Galli and some of her collaborators at UC Davis are part of a larger project, the Deep Carbon Observatory, supported by the Alfred P. Sloan Foundation; Galli is co-chair of the observatory's Physics and Chemistry of Carbon directorate. The aim of the observatory is to study the Earth's carbon cycle, including the presence of hydrocarbons and the possibility of microbial life deep in the planet.
Galli's co-authors are Davide Donadio at the Max Planck Institute in Mainz, Germany; Detlef Hohl at Shell Global Solutions, Houston; and Eric Schwegler, Lawrence Livermore National Laboratory.
The research was supported by Shell.
Andy Fell | EurekAlert!
Greenland ice flow likely to speed up: New data assert glaciers move over sediment, which gets more slippery as it gets wetter
17.08.2017 | Swansea University
Climate change: In their old age, trees still accumulate large quantities of carbon
17.08.2017 | Universität Hamburg
Whether you call it effervescent, fizzy, or sparkling, carbonated water is making a comeback as a beverage. Aside from quenching thirst, researchers at the University of Illinois at Urbana-Champaign have discovered a new use for these "bubbly" concoctions that will have major impact on the manufacturer of the world's thinnest, flattest, and one most useful materials -- graphene.
As graphene's popularity grows as an advanced "wonder" material, the speed and quality at which it can be manufactured will be paramount. With that in mind,...
Physicists at the University of Bonn have managed to create optical hollows and more complex patterns into which the light of a Bose-Einstein condensate flows. The creation of such highly low-loss structures for light is a prerequisite for complex light circuits, such as for quantum information processing for a new generation of computers. The researchers are now presenting their results in the journal Nature Photonics.
Light particles (photons) occur as tiny, indivisible portions. Many thousands of these light portions can be merged to form a single super-photon if they are...
For the first time, scientists have shown that circular RNA is linked to brain function. When a RNA molecule called Cdr1as was deleted from the genome of mice, the animals had problems filtering out unnecessary information – like patients suffering from neuropsychiatric disorders.
While hundreds of circular RNAs (circRNAs) are abundant in mammalian brains, one big question has remained unanswered: What are they actually good for? In the...
An experimental small satellite has successfully collected and delivered data on a key measurement for predicting changes in Earth's climate.
The Radiometer Assessment using Vertically Aligned Nanotubes (RAVAN) CubeSat was launched into low-Earth orbit on Nov. 11, 2016, in order to test new...
A study led by scientists of the Max Planck Institute for the Structure and Dynamics of Matter (MPSD) at the Center for Free-Electron Laser Science in Hamburg presents evidence of the coexistence of superconductivity and “charge-density-waves” in compounds of the poorly-studied family of bismuthates. This observation opens up new perspectives for a deeper understanding of the phenomenon of high-temperature superconductivity, a topic which is at the core of condensed matter research since more than 30 years. The paper by Nicoletti et al has been published in the PNAS.
Since the beginning of the 20th century, superconductivity had been observed in some metals at temperatures only a few degrees above the absolute zero (minus...
16.08.2017 | Event News
04.08.2017 | Event News
26.07.2017 | Event News
18.08.2017 | Life Sciences
18.08.2017 | Physics and Astronomy
18.08.2017 | Materials Sciences