Kinetics, Catalysis, and Reactor Design 16:155:514 SPRING 2015 Mondayy, 5:00 –8:00 pm, Sec­207 Instructor: Prof. Alex Neimark, http://sol.rutgers.edu/~aneimark/ Instructor Contact: [email protected], Department of Chemical and Biochemical Engineering, C258 Course Sakai Website: https://sakai.rutgers.edu/portal; tab16:155:514 S15. Teaching Assistant: Rich Cimino, C256, [email protected] Office Hours: Friday, 2:00 – 3:00 pm, C256/258; sign­up by email is mandatory

Grading Policy: Two Tests (70%); Homework (10 sets) and Class Participation (20%); Term Project (10%).

Textbook: · Elements of Chemical Reaction Engineering, H.S. Fogler, 4th edition, Prentice Hall, 2006

Reference Materials: Ø Fogler’s Professional Reference Shelf website: http://www.engin.umich.edu/~cre/bychapter/prof/frames.htm Ø Chemical Reactor Analysis and Design, G.F. Froment, K.B. Bischoff, and J. de Wilde, 3rd edition, John Wiley, 2011.

Prerequisites: Undergraduate class on chemical engineering kinetics or equivalent that would cover material from Fogler textbook, Chapters 1­3, 4.1­4.7, 5, 6.1­6.6, 7.1. Ability to use standard software for engineering calculations like Matlab or equivalent is the must. Students are strongly advised to review this material prior to taking this class.

Topics Covered

1 Basic concepts of kinetics and reactor design. Archetypal model of reactors. Batch and continuous flow reactors. Stoichiometry and mass balances. Rate equations. Reaction reversibility and thermodynamic equilibrium. 2 Complex reactions. Reactions in series. Intermediates and pseudo­steady­state approximation. Thermal cracking. Chain reactions. Bodenstein principle. Enzymatic reactions. Radical polymerization. Polycondensation. 3 Theories of chemical reactions. Collision theory. Transition state theory. Quantum and statistical mechanics foundations. Eyring equation. 4 Stability of chemical reactions. Periodic reactions. General theory of reaction stability. Belousov­ Zhabotinsky and Briggs­Rauscher reactions. 5­6 Steady­state non­isothermal reactors. Energy balance. Adiabatic and non­adiabatic reactors. Dynamics of reactors. Multiple steady states. Mathematical foundations of dynamic theory. Theory of reactor stability. 7 Unsteady state non­isothermal reactors. Energy balance. Transition to steady state. Reactors with recycle. Multiple states. 8 Non­ideal reactors. Residence time distribution. Population balance theory. Models of mixing. 9 Catalytic reactions and reactors. Heterogeneous reactions. Diffusion­controlled reactions. Membrane reactors. Topochemical reactions. 10 Heterogeneous catalysts. Effectiveness factor of porous catalysts. Thiele modulus. Selectivity of catalytic reactions. Catalyst deactivation. 11 Catalytic reactors. Modeling packed­bed reactors. Fluidized bed reactors. Multiple states and stability.

Important Dates Jan. 26 – 1st class Mar. 9 – Midterm Test 1. Reaction kinetics Mar. 15 ­ 23 – Spring break Apr. 27 – Final Test 2. Reactor design May 11 – Presentation of term projects