Ali M. Nassimi
Sharif University of technology
PhD, University of Toronto, 2011
M.Sc., Sharif University of Technology, 2006
B.Sc., Sharif University of Technology, 2004
General Chemistry I
Mathematics in Chemistry
Statistical Thermodynamics I
Statistical Thermodynamics II
Physical Chemistry for Engineers
Mathematics in Physical Chemistry
Physical Chemistry I
Chemistry Olympiad (Thermodynamics)
Our group uses mathematics, data and computers to address chemical problems. Currently our group is focused on three specific problems.
Predicting flammability limits: Upper flammability limit is the greatest fuel concentration in a fuel-air gaseous mixture which enables self-propagation of a flame. Lower flammability limit (LFL) is the least fuel concentration in a fuel-air gaseous mixture which enables self-propagation of a flame. We have worked on using thermal theory of flame propagation for evaluating flammability limits and suggested density theory of flame propagation for evaluating flammability limits. Also we are combining thermal theory and density theory with a group contribution method for predicting flammability limits.
Solving quantum-classical dynamics in a mapping basis: We know that chemical systems are governed by quantum mechanics and that the time evolution of a quantum system is given by the quantum Liouville equation
where H is the classical Hamiltonian and f is the phase space distribution function. Classical mechanics scales linearly with the size of the system and also is a first approximation to the exact quantum dynamics. To reduce the complexity while keeping the dynamics accurate one may use quantum-classical dynamics
Dependence of non-redox reaction rate on the external electric field strength: We are developing a statistical mechanical model to predict the dependence of reaction rate constants on strength of external electric field.