Theoretical Thermodynamics Study of Polyamidoamine Deposited Around a Nanotube as Motor Controlled by Light and Under Temperature Effect.
We simulated a system like a Polyamidoamine (PAMAM) deposited on open carbon nanotube. We used five first generation PAMAM. The initial position of PAMAM is out of CN symmetry position. It permits the PAMAM to relax around the nanotube due to van der Waals force. After that, we have analyzed the thermal effects on behavior of 4G PAMAM. We performed computational simulation using classical molecular dynamics with standard parameterization. The thermodynamics properties of this device as molar specific heat and molar entropy variation were calculated. The CN has 690 carbon atoms with up to almost 0.1 ns of simulation.
Julio C S
JC
Santos
J F S
JF
Costa
J C
JC
Neto
R S
RS
Borges
Teodorico C
TC
Ramalho
James
J
Chen
Nélio T
NT
Machado
D008027:Light; D056004:Molecular Dynamics Simulation; D043942:Nanotubes / Q000737:chemistry*; D011073:Polyamines / Q000737:chemistry*; D013816:Thermodynamics
C531249:Poly(amidoamine); D011073:Polyamines