MD studies of the structural and diffusion properties of formamide/water and ethanol/water mixtures on titanium and platinum surfaces

Ermuhammad Dushanov, Kholmirzo Kholmurodov, Kenji Yasuoka, Evgenii Krasavin

Research output: Chapter in Book/Report/Conference proceedingChapter

Abstract

Formamide - surface interaction was one of the main discussion topicsat the round table meeting "Astrobology: New Ideas and ResearchTrends" of the Italia - Russia@Dubna (2011). The nucleic acid componentssynthesized by formamide and their cosmic dust analogs havebeen widely considered to be the best candidates with regards to the earlystages of the formation of biological molecules needed for life. Titaniumdioxide (TiO2, anatase), zircon (ZrO2), and other minerals could influence as matrix elements the synthesis of nucleic acid bases from formamide,which is followed by temperature and UV heating. In the darkconditions, the experimental data on formamide adsorption at 300 K overthe (001) plane of TiO2 indicate some amount of unreacted formamideand water among the products (CO, H2, NH3, HCN). So far, some concentrationof water and its involvement in formamide/TiO2 interactionhas been experimentally shown to be an important component of the process.In this paper, molecular dynamics (MD) simulation of interactionbetween a formamide - water solution and a TiO2 (anatase) surface isperformed. A comparative MD analysis is done of the formamide -water/(TiO2, Pt) and ethanol - water/(TiO2, Pt) systems in a temperaturerange from T = 250 K to T = 400 K to compare their structural anddiffusion properties.

Original languageEnglish
Title of host publicationModels in Bioscience and Materials Research
Subtitle of host publicationMolecular Dynamics and Related Techniques
PublisherNova Science Publishers, Inc.
Pages13-34
Number of pages22
ISBN (Print)9781628080520
Publication statusPublished - 2013 Dec 1

Keywords

  • Catalysts
  • Ethanol molecule
  • Formamide molecule
  • Molecular structures
  • Surface
  • Water

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)

Fingerprint Dive into the research topics of 'MD studies of the structural and diffusion properties of formamide/water and ethanol/water mixtures on titanium and platinum surfaces'. Together they form a unique fingerprint.

Cite this