1. GBH Enterprises, Ltd.Process Engineering Guide: GBHE-PEG-FLO-300Data sources for Calculating Chemical Reaction Equilibria Information contained in this publication or as otherwise supplied to Users is believed to be accurate and correct at time of going to press, and is given in good faith, but it is for the User to satisfy itself of the suitability of the information for its own particular purpose. GBHE gives no warranty as to the fitness of this information for any particular purpose and any implied warranty or condition (statutory or otherwise) is excluded except to the extent that exclusion is prevented by law. GBHE accepts no liability resulting from reliance on this information. Freedom under Patent, Copyright and Designs cannot be assumed.Refinery Process Stream Purification Refinery Process Catalysts Troubleshooting Refinery Process Catalyst Start-Up / Shutdown Activation Reduction In-situ Ex-situ Sulfiding Specializing in Refinery Process Catalyst Performance Evaluation Heat & Mass Balance Analysis Catalyst Remaining Life Determination Catalyst Deactivation Assessment Catalyst Performance Characterization Refining & Gas Processing & Petrochemical Industries Catalysts / Process Technology - Hydrogen Catalysts / Process Technology Ammonia Catalyst Process Technology - Methanol Catalysts / process Technology Petrochemicals Specializing in the Development & Commercialization of New Technology in the Refining & Petrochemical Industries Web Site: www.GBHEnterprises.com

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Process Engineering Guide:Data sources for Calculating Chemical Reaction EquilibriaCONTENTSSECTION0INTRODUCTION/PURPOSE21SCOPE22FIELD OF APPLICATION23DEFINITIONS24BACKGROUND TO THEORY25BIBLIOGRAPHY3TABLE1SOURCES OF DATARefinery Process Stream Purification Refinery Process Catalysts Troubleshooting Refinery Process Catalyst Start-Up / Shutdown Activation Reduction In-situ Ex-situ Sulfiding Specializing in Refinery Process Catalyst Performance Evaluation Heat & Mass Balance Analysis Catalyst Remaining Life Determination Catalyst Deactivation Assessment Catalyst Performance Characterization Refining & Gas Processing & Petrochemical Industries Catalysts / Process Technology - Hydrogen Catalysts / Process Technology Ammonia Catalyst Process Technology - Methanol Catalysts / process Technology Petrochemicals Specializing in the Development & Commercialization of New Technology in the Refining & Petrochemical Industries Web Site: www.GBHEnterprises.com 3. 0INTRODUCTION/PURPOSEThis Guide is one of a series produced for GBH Enterprises. The calculation of chemical equilibria for a single notional reaction is rarely difficult. A typical example is given in GBHE-PEG-RXT-813. The solution of such cases is well understood; the mass action equation generates a polynomial relationship between conversion and equilibrium constant (or free energy) which can be solved (at worst iteratively) and the relevant root selected by inspection. Extension of this approach to more than one reaction rapidly becomes untenable for hand calculation due to the highly non-linear nature of the resulting simultaneous equations. The solution of these multi-reaction equilibrium problems has been investigated since the early days of the Second World War when interest in rocket motor design became strategically important. Indeed, work for the V2 at the "Hermann Gring Air Force Research Institute" provided some of the earliest papers on the subject. To this day, combustion/explosion problems remain the mainspring of research effort in this area and a number of commercially available computer programs have appeared in the public domain. 1SCOPEThis Guide provides a comprehensive list of sources of data for calculating chemical reaction equilibria, for Reactor Modeling.2FIELD OF APPLICATIONThis Guide applies to process engineers in GBH Enterprises worldwide.3DEFINITIONSNo specific definitions apply to this Guide. With the exception of terms used as proper nouns or titles, those terms with initial capital letters which appear in this document and are not defined above are defined in the Glossary of Engineering Terms. Refinery Process Stream Purification Refinery Process Catalysts Troubleshooting Refinery Process Catalyst Start-Up / Shutdown Activation Reduction In-situ Ex-situ Sulfiding Specializing in Refinery Process Catalyst Performance Evaluation Heat & Mass Balance Analysis Catalyst Remaining Life Determination Catalyst Deactivation Assessment Catalyst Performance Characterization Refining & Gas Processing & Petrochemical Industries Catalysts / Process Technology - Hydrogen Catalysts / Process Technology Ammonia Catalyst Process Technology - Methanol Catalysts / process Technology Petrochemicals Specializing in the Development & Commercialization of New Technology in the Refining & Petrochemical Industries Web Site: www.GBHEnterprises.com 4. 4BACKGROUND TO THEORYFor a detailed discussion of the theory the reader is referred to Smith and Missen (1982). 5BIBLIOGRAPHYNote: The reference numbers in the left hand column correspond to those numbers listed in the footer to Table 1. Refinery Process Stream Purification Refinery Process Catalysts Troubleshooting Refinery Process Catalyst Start-Up / Shutdown Activation Reduction In-situ Ex-situ Sulfiding Specializing in Refinery Process Catalyst Performance Evaluation Heat & Mass Balance Analysis Catalyst Remaining Life Determination Catalyst Deactivation Assessment Catalyst Performance Characterization Refining & Gas Processing & Petrochemical Industries Catalysts / Process Technology - Hydrogen Catalysts / Process Technology Ammonia Catalyst Process Technology - Methanol Catalysts / process Technology Petrochemicals Specializing in the Development & Commercialization of New Technology in the Refining & Petrochemical Industries Web Site: www.GBHEnterprises.com 5. Refinery Process Stream Purification Refinery Process Catalysts Troubleshooting Refinery Process Catalyst Start-Up / Shutdown Activation Reduction In-situ Ex-situ Sulfiding Specializing in Refinery Process Catalyst Performance Evaluation Heat & Mass Balance Analysis Catalyst Remaining Life Determination Catalyst Deactivation Assessment Catalyst Performance Characterization Refining & Gas Processing & Petrochemical Industries Catalysts / Process Technology - Hydrogen Catalysts / Process Technology Ammonia Catalyst Process Technology - Methanol Catalysts / process Technology Petrochemicals Specializing in the Development & Commercialization of New Technology in the Refining & Petrochemical Industries Web Site: www.GBHEnterprises.com 6. Note:The reference numbers in the left hand column correspond to those numbers listed in the footer to Table 1. Refinery Process Stream Purification Refinery Process Catalysts Troubleshooting Refinery Process Catalyst Start-Up / Shutdown Activation Reduction In-situ Ex-situ Sulfiding Specializing in Refinery Process Catalyst Performance Evaluation Heat & Mass Balance Analysis Catalyst Remaining Life Determination Catalyst Deactivation Assessment Catalyst Performance Characterization Refining & Gas Processing & Petrochemical Industries Catalysts / Process Technology - Hydrogen Catalysts / Process Technology Ammonia Catalyst Process Technology - Methanol Catalysts / process Technology Petrochemicals Specializing in the Development & Commercialization of New Technology in the Refining & Petrochemical Industries Web Site: www.GBHEnterprises.com 7. Refinery Process Stream Purification Refinery Process Catalysts Troubleshooting Refinery Process Catalyst Start-Up / Shutdown Activation Reduction In-situ Ex-situ Sulfiding Specializing in Refinery Process Catalyst Performance Evaluation Heat & Mass Balance Analysis Catalyst Remaining Life Determination Catalyst Deactivation Assessment Catalyst Performance Characterization Refining & Gas Processing & Petrochemical Industries Catalysts / Process Technology - Hydrogen Catalysts / Process Technology Ammonia Catalyst Process Technology - Methanol Catalysts / process Technology Petrochemicals Specializing in the Development & Commercialization of New Technology in the Refining & Petrochemical Industries Web Site: www.GBHEnterprises.com 8. Refinery Process Stream Purification Refinery Process Catalysts Troubleshooting Refinery Process Catalyst Start-Up / Shutdown Activation Reduction In-situ Ex-situ Sulfiding Specializing in Refinery Process Catalyst Performance Evaluation Heat & Mass Balance Analysis Catalyst Remaining Life Determination Catalyst Deactivation Assessment Catalyst Performance Characterization Refining & Gas Processing & Petrochemical Industries Catalysts / Process Technology - Hydrogen Catalysts / Process Technology Ammonia Catalyst Process Technology - Methanol Catalysts / process Technology Petrochemicals Specializing in the Development & Commercialization of New Technology in the Refining & Petrochemical Industries Web Site: www.GBHEnterprises.com 9. Refinery Process Stream Purification Refinery Process Catalysts Troubleshooting Refinery Process Catalyst Start-Up / Shutdown Activation Reduction In-situ Ex-situ Sulfiding Specializing in Refinery Process Catalyst Performance Evaluation Heat & Mass Balance Analysis Catalyst Remaining Life Determination Catalyst Deactivation Assessment Catalyst Performance Characterization Refining & Gas Processing & Petrochemical Industries Catalysts / Process Technology - Hydrogen Catalysts / Process Technology Ammonia Catalyst Process Technology - Methanol Catalysts / process Technology Petrochemicals Specializing in the Development & Commercialization of New Technology in the Refining & Petrochemical Industries Web Site: www.GBHEnterprises.com