Editors Adrián Bonilla-Petriciolet, Department of Chemical Engineering, Instituto Tecnológico de Aguascalientes, Mexico Gade Pandu Rangaiah, Department of Chemical & Biomolecular Engineering, National University of Singapore, Singapore and School of Chemical Engineering, Vellore Institute of Technology, India Series Editor Christian Stevens, Faculty of Bioscience Engineering, Ghent University, Belgium

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• List of Contributors xiiiSeries Preface xvPreface xvii1 Introduction 1Adrián Bonilla-Petriciolet and Gade Pandu Rangaiah1.1 Importance of Biofuels and Overview of their Production 11.2 Significance of Process Systems Engineering for Biofuels Production 31.2.1 Modeling of Physicochemical Properties of Thermodynamic Systems Related to Biofuels 41.2.2 Intensification of the Biomass Transformation Routes for the Production of Biofuels 51.2.3 Computer-Aided Methodologies for Process Modeling, Design, Optimization, and Control Including Supply Chain and Life Cycle Analyses 71.3 Overview of this Book 9References 112 Waste Biomass Suitable as Feedstock for Biofuels Production 15Maria Papadaki2.1 Introduction 152.1.1 The Need for Biofuels 152.1.2 Problem Definition 172.1.3 The Biomass Pool 182.2 Kinds of Feedstock 202.2.1 Spent Coffee Grounds 212.2.2 Lignocellulose Biomass 222.2.3 Palm, Olive, Coconut, Avocado, and Argan Oil Production Residues 252.2.4 Citrus 332.2.5 Grape Marc 362.2.6 Waste Oil and Cooking Oil 372.2.7 Additional Sources 382.3 Conclusions 40Acknowledgment 40References 403 Multiscale Analysis for the Exploitation of Bioresources: From Reactor Design to Supply Chain Analysis 49Antonio Sánchez, Borja Hernández, and Mariano Martín3.1 Introduction 493.2 Unit Level 503.2.1 Short Cut Methods 503.2.2 Mechanistic Models 513.2.3 Rules of Thumb 563.2.4 Dimensionless Analysis 563.2.5 Surrogate Models 563.2.6 Experimental Correlations 593.3 Process Synthesis 603.3.1 Heuristic Based 603.3.2 Supestructure Optimization 613.3.3 Environmental Impact Metrics 653.3.4 Safety Considerations 663.4 The Product Design Problem 663.4.1 Product Design: Engineering Biomass 663.4.2 Blending Problems 683.5 Supply Chain Level 683.5.1 Introduction 683.5.2 Modeling Issues 703.6 Multiscale Links and Considerations 71Acknowledgment 74Nomenclature 74References 754 Challenges in the Modeling of Thermodynamic Properties and Phase Equilibrium Calculations for Biofuels Process Design 85Roumiana P. Stateva and Georgi St. Cholakov4.1 Introduction 854.2 Thermodynamic Modeling Framework: Elements, Structure, and Organization 864.3 Thermodynamics of Biofuel Systems 884.3.1 Phase Equilibria 884.3.2 Thermodynamic Models 904.4 Sources of Data for Biofuels Process Design 984.5 Methods for Predicting Data for Biofuels Process Design 1024.5.1 Group Contribution Methods for Biofuels Process Design 1034.5.2 Quantitative Structure–Property Relationships for Biofuels Process Design 1054.6 Challenges for the Biofuels Process Design Methods 1094.7 Influence of Uncertainties in Thermophysical Properties of Pure Compounds on the Phase Behavior of Biofuel Systems 1124.8 Conclusions 114Acknowledgment 114Exercises 114References 1155 Up-grading ofWaste Oil: A Key Step in the Future of Biofuel Production 121Luigi di Bitonto and Carlo Pastore5.1 Introduction 1215.2 Physicochemical Pretreatments of Waste Oils: Removal of Contaminants 1245.3 Direct Treatment and Conversion of FFAs into Methyl Esters 1255.3.1 Homogeneous Catalysis: Brønsted and Lewis Acids 1255.3.2 Heterogeneous Catalysis 1275.3.3 Enzymatic Biodiesel Production 1285.3.4 ILs Biodiesel Production 1305.3.5 Use of Metal Hydrated Salts 1335.4 Future Trends of the Pretreatments of Waste Oils 1395.5 Conclusions 140Acknowledgment 141Abbreviations 141References 1426 Production of Biojet Fuel from Waste Raw Materials: A Review 149Ana Laura Moreno-Gómez, Claudia Gutiérrez-Antonio, Fernando Israel Gómez-Castro, and Salvador Hernández6.1 Introduction 1496.2 Waste Triglyceride Feedstock 1506.3 Waste Lignocellulosic Feedstock 1596.4 Waste Sugar and Starchy Feedstock 1646.5 Main Challenges and Future Trends 1656.6 Conclusions 167Acknowledgments 167References 1677 Computer-Aided Design for Genetic Modulation to Improve Biofuel Production 173Feng-Sheng Wang and Wu-Hsiung Wu7.1 Introduction 1737.2 Method 1757.2.1 Flux Balance Analysis 1757.2.2 Flux Variability Analysis 1767.2.3 Minimization of Metabolic Adjustment 1767.2.4 Regulatory On-Off Minimization 1777.2.5 Optimal Strain Design Problem 1777.3 Computer-Aided Strain Design Tool 1797.4 Examples 1817.4.1 E. coli Core Model 1817.4.2 Genome-Scale Metabolic Model of E. coli iAF1260 1837.5 Conclusions 185Appendix 7.A: The SBP Program 187References 1878 Implementation of Biodiesel Production Process Using Enzyme-Catalyzed Routes 191Thalles Allan Andrade, Massimiliano Errico, and Knud Villy Christensen8.1 Introduction 1918.2 Biodiesel Production Routes: Chemical versus Enzymatic Catalysts 1948.2.1 Chemical Catalysts 1958.2.2 Enzymatic Catalysts 1968.3 Optimal Reaction Conditions and Kinetic Modeling 1988.3.1 Evaluation of the Reaction Conditions 1998.3.2 Kinetic Modeling 2018.4 Process Simulation and Economic Evaluation 2058.5 Reuse of Enzyme for the Transesterification Reaction 2108.5.1 Recovery of Eversa Transform by Means of Centrifugation 2108.5.2 Recovery of Eversa Transform by Means of Ceramic Membranes 2118.6 Environmental Impact and Final Remarks 215Acknowledgments 217Nomenclature 217References 2179 Process Analysis of Biodiesel Production – Kinetic Modeling, Simulation, and Process Design 221Bruna Ricetti Margarida, Wanderson Rogerio Giacomin-Junior, Luiz Fernando de Lima Luz Junior, Fernando Augusto Pedersen Voll, and Marcos Lucio Corazza9.1 Introduction 2219.1.1 Homogeneous-Based Reactions 2229.1.2 Heterogeneous-Based Reactions 2239.1.3 Enzyme-Catalyzed Reactions 2249.1.4 Supercritical Route Reactions 2249.1.5 Methanol or Ethanol for Biodiesel Synthesis 2249.2 Getting Started with Aspen Plus V10 2249.2.1 Pure Compounds 2259.2.2 Mixture Parameters 2299.3 Kinetic Study 2329.3.1 Esterification Reaction 2329.3.2 Experimental Reaction Data Regression 2349.3.3 Transesterification Reaction 2369.3.4 Supercritical Route 2389.4 Process Design 2399.4.1 Esterification Reaction 2399.4.2 Methanol Recycling 2439.4.3 Transesterification Reaction 2449.4.4 Biodiesel Purification 2459.4.5 Additional Resources 2489.5 Energy and Economic Analysis 2529.6 Concluding Remarks 254Acknowledgment 255Exercises 255References 25610 Process Development, Design and Analysis of Microalgal Biodiesel Production Aided by Microwave and Ultrasonication 259Dipesh S. Patle, Savyasachi Shrikhande, and Gade Pandu Rangaiah10.1 Introduction 25910.2 Process Development and Modeling 26210.3 Sizing and Cost Analysis 27210.4 Comparison with the WCO-Based Process of the Same Capacity 27710.4.1 Biodiesel Process Using WCO as Raw Material 27710.4.2 Comparative Analysis 27710.5 Comparison with the Microalgae-Based Processes 28010.6 Conclusions 280Acknowledgment 281Appendix 10.A 281Exercises 282References 28211 Thermochemical Processes for the Transformation of Biomass into Biofuels 285Carlos J. Durán-Valle11.1 Introduction 28511.2 Biomass and Biofuels 28811.3 Combustion 28911.4 Gasification 29011.4.1 Fixed Bed Gasification 29111.4.2 Fluidized Bed Gasification 29211.4.3 Dual Fluidized Bed Gasification 29211.4.4 Hydrothermal Gasification 29311.4.5 Supercritical Water Gasification 29411.4.6 Plasma Gasification 29411.4.7 Catalyzed Gasification 29511.4.8 Fischer–Tropsch Synthesis 29511.5 Liquefaction 29611.6 Pyrolysis 29611.6.1 Slow Pyrolysis 29711.6.2 Fast Pyrolysis 29711.6.3 Flash Pyrolysis 29711.6.4 Catalytic Biomass Pyrolysis 30311.6.5 Microwave Heating 30411.6.6 Product Separation 30411.7 Carbonization 30511.8 Conclusions 308Acknowledgments 309References 30912 Intensified Purification Alternative for Methyl Ethyl Ketone Production: Economic, Environmental, Safety and Control Issues 311Eduardo Sánchez-Ramírez, Juan José Quiroz-Ramírez, and Juan Gabriel Segovia-Hernández12.1 Introduction 31112.2 Problem Statement and Case Study 31612.3 Evaluation Indexes and Optimization Problem 31712.3.1 Total Annual Cost Calculation 31912.3.2 Environmental Index Calculation 31912.3.3 Individual Risk Index 32012.3.4 Controllability Index Calculation 32212.3.5 Multi-Objective Optimization Problem 32312.4 Global Optimization Methodology 32412.5 Results 32512.6 Conclusions 335Acknowledgments 335Notation 335References 33613 Present and Future of Biofuels 341Juan Gabriel Segovia-Hernández, César Ramírez-Márquez, and Eduardo Sánchez-Ramírez13.1 Introduction 34113.2 Some Representative Biofuels 34413.2.1 Bioethanol 34413.2.2 Biodiesel 34713.2.3 Biobutanol 34813.2.4 Biojet Fuel 34913.2.5 Biogas 35113.3 Perspectives and Future of Biofuels 352References 354Index 357