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Supercomputers Help Create Virtual Atomic Models of Nanomaterials for Oil, Mining and Energy Industries

By using supercomputers the team creates virtual atomic models that interact under different conditions before being taken to the real world, allowing savings in time and money.

Héctor Barrón Escobar

With the goal of potentiate the oil, mining and energy industries, as well as counteract the emission of greenhouse gases, the nanotechnologist Hector Barron Escobar, designs more efficient and profitable nanomaterials.

The Mexican who lives in Australia studies the physical and chemical properties of platinum and palladium, metal with excellent catalytic properties that improve processes in petrochemistry, solar cells and fuel cells, which because of their scarcity have a high and unprofitable price, hence the need to analyze their properties and make them long lasting.

Structured materials that the specialist in nanotechnology designs can be implemented in the petrochemical and automotive industries. In the first, they accelerate reactions in the production of hydrocarbons, and in the second, nanomaterials are placed in catalytic converters of vehicles to transform the pollutants emitted by combustion into less harmful waste.

PhD Barron Escobar, who majored in physics at the National University of Mexico (UNAM), says that this are created by using virtual supercomputers to interact with atomic models under different conditions before being taken to the real world.

Barron recounts how he came to Australia with an invitation of his doctoral advisor, Amanda Partner with whom he analyzed the electronic properties of gold in the United States.

He explains that using computer models in the Virtual Nanoscience Laboratory (VNLab) in Australia, he creates nanoparticles that interact in different environmental conditions such as temperature and pressure. He also analyzes their mechanical and electronic properties, which provide specific information about behavior and gives the best working conditions. Together, these data serve to establish appropriate patterns or trends in a particular application.

The work of the research team serves as a guide for experts from the University of New South Wales in Australia, with which they cooperate, to build nanoparticles with specific functions. "This way we perform virtual experiments, saving time, money and offer the type of material conditions and ideal size for a specific catalytic reaction, which by the traditional way would cost a lot of money trying to find what is the right substance" Barron Escobar comments.

Currently he designs nanomaterials for the mining company Orica, because in this industry explosives need to be controlled in order to avoid damaging the minerals or the environment.

Research is also immersed in the creation of fuel cells, with the use of the catalysts designed by Barron is possible to produce more electricity without polluting.

Additionally, they enhance the effectiveness of catalytic converters in petrochemistry, where these materials help accelerate oxidation processes of hydrogen and carbon, which are present in all chemical reactions when fuel and gasoline are created. "We can identify the ideal particles for improving this type of reactions."

The nanotechnology specialist also seeks to analyze the catalytic properties of bimetallic materials like titanium, ruthenium and gold, as their reaction according to size, shape and its components.

Escobar Barron chose to study nanomaterials because it is interesting to see how matter at the nano level completely changes its properties: at large scale it has a definite color, but keep another at a nanoscale, besides many applications can be obtained with these metals.

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