Multiscale molecular dynamics of glycoside hydrolases and lignocellulosic substrates
| Grant number: | 11/08530-3 |
| Support type: | Scholarships in Brazil - Scientific Initiation |
| Effective date (Start): | August 01, 2011 |
| Effective date (End): | December 31, 2012 |
| Field of knowledge: | Physical Sciences and Mathematics - Physics |
| Principal Investigator: | Silvio Antonio Sachetto Vitiello |
| Grantee: | Lucas Madeira |
| Home Institution: | Instituto de Física Gleb Wataghin (IFGW). Universidade Estadual de Campinas (UNICAMP). Campinas, SP, Brazil |
Abstract We intent to study, by means of the molecular dynamics method, the atomic interactions of argon with a bidimensional sheet of graphene. We will implement a code to simulate the system and calculate the thermodynamics properties of interest. We also intend to study the adsoption of argon atoms by graphene. The results will be compared with experimental data and also possibly with results from simulation from literature. (AU) | |