15-Lect-Collection-Analysis-RateData

15-Lect-Collection-Analysis-RateData - Outline 1 Algorithm...

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1 Chemical Reaction Engineering - Musgrave Determining Rate Law from Data Analysis Lecture 15 - Page 1 Outline: 1. Algorithm for Data Analysis (Fogler 5.1) 2. Batch Reactor Data (Fogler 5.2) Next Time: (Fogler 5.2) 1. Batch Reactor Data Continued (Fogler 5.2) dC A dt C A Chemical Reaction Engineering - Musgrave Determining Rate Law from Data Analysis Lecture 15 - Page 2 PFR CSTR Batch 1. Mole Balance 2. Rate Law -r A =f(C A ) -r A =g(C A ) -r A =h(C A ) 3. Stoichiometry Flow Batch 4. Combine 5. Evaluate dV=dV(X) dt=dt(X) V=V(X) t=t(X) Liquid Gas Liquid Gas dV = F A 0 dX r A V = F A 0 X r A dt = N A 0 dX r A V r A = k A C A r A = kC A 1 + k A C A r A = k C A 1 k C A C B Ρ Σ ΢ Τ Φ Υ C A = F A υ C A = N A V = 0 = 0 1 + ε X ( ) P 0 T PT 0 V = V 0 1 + X ( ) P 0 T PT 0 V = V 0 C A = C A 0 1 X ( ) C A = C A 0 1 X ( ) 1 + X ( ) T 0 P P 0 T C A = C A 0 1 X ( ) dV = F A 0 dX r A dV = F A 0 dX k A C A dV = F A 0 1 + X ( ) P 0 TdX k A C A 0 1 X ( ) T 0 P V = P 0 F A 0 T 0 C A 0 T 1 + X ( ) dX Pk A 1 X ( ) 0 X = ? 1. Mole Balance 2. Rate Law 3. Stoichiometry Liquid Gas Liquid Flow Batch 4. Combine 5. Evaluate Liquid or gas
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2 Chemical Reaction Engineering - Musgrave Determining Rate Law from Data Analysis Lecture 15 - Page 3 Outline: 1. Postulate a Rate Law a. Power law (homogeneous) b. Langmuir-Hinshelwood or Eley-Rideal (heterogeneous) 2. Select appropriate Mole Balance a. Mole balance on reactant A (Batch reactor) b. Mole balance on product P (Differential PBR) 3. Process data in measured variable (N A , C A , or P A ) 4. Simplify (plan for simplification in collecting data) a. Method of excess b. If P A small ε 0 (gas phase) 5. Batch Reactor - Analyze concentration data to determine rate law 6. Or Differential PBR - Calculate -r A (C A ) or -r A (P A ) 7. Finally, check your rate law model for data reproduction Chemical Reaction Engineering - Musgrave Determining Rate Law from Data Analysis Lecture 15 - Page 4 Outline: 1. Postulate a Rate Law 2. Select appropriate Mole Balance 3. Process data in measured variable (N A , C A , or P A ) 4. Simplify (plan for simplification in collecting data) 5. Batch Reactor - Analyze concentration data to determine rate law a. Differential analysis of C A vs t 1. Graphical method 2. Finite difference (numerical differentiation) 3. Functional fit b. Integral Method 1. Guess power law and integrate (C A (t) should be linear) 2. Nonlinear regression (See Ch. 5 summary notes on CD for tutorial) 6. Check your rate law model for data reproduction
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3 Chemical Reaction Engineering - Musgrave Determining Rate Law from Data Analysis Lecture 15 - Page 5 Outline: 1. Postulate a Rate Law 2. Select appropriate Mole Balance 3. Process data in measured variable (N A , C A , or P A ) 4. Simplify (plan for simplification in collecting data) 5. Differential PBR - Calculate -r A (C A ) or -r A (P
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15-Lect-Collection-Analysis-RateData - Outline 1 Algorithm...

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