Improved generation of large-scale atomistic representations and pyrolysis/combustion simulations of Illinois coal and coal char using the Reaxff reactive force field
Jonathan P Mathews, Dissertation Advisor/Co-Advisor Jonathan P Mathews, Committee Chair/Co-Chair Ljubisa R Radovic, Committee Member Caroline Elaine Clifford, Committee Member Robert John Santoro, Committee Member Adrianus C Van Duin, Committee Member
Structure and combustion reactivity of inertinite-rich and vitrinite rich South African coal chars: quantification of the structural factors contributing to reactivity differences
Jonathan P Mathews, Dissertation Advisor/Co-Advisor Jonathan P Mathews, Committee Chair/Co-Chair Adrianus C Van Duin, Committee Member Sarma V Pisupati, Committee Member Semih Eser, Committee Member
