Intelligent Systems in Process Engineering, Part I: Paradigms from Product and Process Design

by Anderson; Denn; Seinfeld; Wei; Han; Stephanopoulos

• ISBN13: 9780120085217
• ISBN10: 0120085216
• Edition: 1st
• Format: Hardcover
• Copyright: 1995-10-03
• Publisher: Elsevier Science

Summary

Volumes 21 and 22 of Advances in Chemical Engineering contain ten prototypical paradigms which integrate ideas and methodologies from artificial intelligence with those from operations research, estimation andcontrol theory, and statistics. Each paradigm has been constructed around an engineering problem, e.g. product design, process design, process operations monitoring, planning, scheduling, or control. Along with the engineering problem, each paradigm advances a specific methodological theme from AI, such as: modeling languages; automation in design; symbolic and quantitative reasoning; inductive and deductive reasoning; searching spaces of discrete solutions; non-monotonic reasoning; analogical learning;empirical learning through neural networks; reasoning in time; and logic in numerical computing. Together the ten paradigms of the two volumes indicate how computers can expand the scope, type, and amount of knowledge that can be articulated and used in solving a broad range of engineering problems. Key Features * Sets the foundations for the development of computer-aided tools for solving a number of distinct engineering problems * Exposes the reader to a variety of AI techniques in automatic modeling, searching, reasoning, and learning * The product of ten-years experience in integrating AI into process engineering * Offers expanded and realistic formulations of real-world problems

Table of Contents

Contributors to Volume 21	xi
Prologue	xix
Modeling Languages: Declarative and Imperative Descriptions of Chemical Reactions and Processing Systems
Christopher J. Nagel
Chonghun Han
George Stephanopoulos
Introduction	2	(11)
The Five Premises of a Modeling System	3	(4)
Review of Modeling Systems for Process Simulation	7	(3)
Modeling Systems in Chemistry	10	(3)
LCR: A Language for Chemical Reactivity	13	(23)
Modeling Elements of LCR	13	(13)
Semantic Relations among Modeling Elements in LCR	26	(7)
Syntax of LCR	33	(3)
Formal Construction of Representations for Chemicals and Reactions	36	(37)
Extension of LCR's Modeling Objects	36	(14)
The ``Model-Class Decomposition Digraph'' (MCDD)	50	(3)
Generation and Representation of Reaction Pathways	53	(5)
Creation of Contextual Reaction Models	58	(6)
Case Study: Ethane Pyrolysis	64	(9)
Model. LA.: A Modeling Language for Process Engineering	73	(5)
Basic Modeling Elements	73	(2)
Semantic Relationships	75	(1)
Hierarchies of Modeling Subclasses	76	(2)
Syntax	78	(1)
Phenomena-Based Modeling of Processing Systems	78	(16)
The ``Chemical Engineering Science'' Hierarchies of Modeling Elements	79	(3)
Formal Construction of Models	82	(1)
Multifaceted Modeling of Processing Systems	82	(5)
Computer-Aided Implementation of Model.LA.	87	(3)
References	90	(4)
Automation in Design: The Conceptual Synthesis of Chemical Processing Schemes
Chonghun Han
George Stephanopoulos
James M. Douglas
Introduction	94	(9)
Conceptual Design of Chemical Processing Schemes	96	(2)
Issues in the Automation of Conceptual Process Design	98	(5)
Hierarchical Approach to the Synthesis of Chemical Processing Schemes: A Computational Model of the Engineering Methodology	103	(19)
Hierarchical Planning of the Process Design Evolution	104	(3)
Goal Structures: Bridging the Gap between Design Milestones	107	(10)
Design Principles of the Computational Model	117	(5)
HDL: The Hierarchical Design Language	122	(1)
Multifaceted Modeling of the Process Design State	123	(16)
Modeling the Design Tasks	129	(5)
Elements for Human-Machine Interaction	134	(4)
Object-Oriented Failure Handling	138	(1)
Management of Design Alternatives	138	(1)
Concept Designer: The Software Implementation	139	(1)
Overall Architecture	139	(9)
Implementation Details	143	(1)
Summary	144	(1)
References	145	(3)
Symbolic and Quantitative Reasoning: Design of Reaction Pathways through Recursive Satisfaction of Constraints
Michael L. Mavrovouniotis
Reaction Systems and Pathways	148	(3)
Catalytic Reaction Systems	151	(18)
Basic Concepts, Terminology, and Notation	151	(3)
Previous Work on the Construction of Mechanisms	154	(1)
Structure of the Algorithm	155	(4)
Features of the Algorithm	159	(1)
Examples	160	(9)
Biochemical Pathways	169	(14)
Features of the Pathway Synthesis Problem	173	(2)
Formulation of Constraints	175	(1)
Algorithm	176	(3)
Examples	179	(4)
Properties and Extensions of the Synthesis Algorithm	183	(2)
Summary	185	(3)
References	185	(3)
Inductive and Deductive Reasoning: The Case of Identifying Potential Hazards in Chemical Processes
Christopher Nagel
George Stephanopoulos
Introduction	188	(7)
Predictive Hazard Analysis	190	(2)
Incompleteness of Conventional Hazard Analysis Methodologies	192	(1)
Premises of Traditional Approaches	193	(1)
Overview of Proposed Methodology	194	(1)
Reaction-Based Hazards Identification	195	(14)
System Foundations	196	(2)
Modeling Languages and Their Role in Hazards Identification	198	(7)
Generations of Reactions and Evaluation of Thermodynamic States	205	(4)
Inductive Identification of Reaction-Based Hazards	209	(12)
Hazards Identification Algorithm	211	(3)
Properties of Reaction-Based Hazards Identification	214	(3)
An Example in Reaction-Based Hazard Identification: Aniline Production	217	(4)
Deductive Determination of the Causes of Hazards	221	(32)
Methodological Framework	222	(3)
Variables as ``Causes'' or ``Effects''	225	(2)
Construction of Variable-Influence Diagrams	227	(5)
Characterization of Variable-Influence Pathways	232	(3)
Assessment of Hazards-Preventive Mechanisms	235	(3)
Fault-Tree Construction	238	(3)
An Example of Reaction-Based Hazard Identification: Reaction Quench	241	(12)
Conclusion	253	(5)
References	254	(4)
Searching Spaces of Discrete Solutions: The Design of Molecules Possessing Desired Physical Properties
Kevin G. Joback
George Stephanopoulos
Introduction	258	(9)
Brief Review of Previous Work	260	(4)
General Framework for the Design of Molecules	264	(3)
Automatic Synthesis of New Molecules	267	(23)
The Generate-and-Test Paradigm	267	(4)
The Search Algorithm	271	(12)
Case Study: Automatic Design of Refrigerants	283	(1)
Case Study: Automatic Design of Polymers as Packaging Materials	284	(6)
Interactive Synthesis of New Molecules	290	(14)
Illustration of Interactive Design	291	(5)
Case Study: Interactive Design of Refrigerants	296	(3)
Case Study: Interactive Design of an Extraction Solvent	299	(2)
Case Study: Interactive Design of a Pharmaceutical	301	(3)
The Molecule-Designer Software System	304	(3)
General Description	304	(1)
Interactive-Design-Relevant Sections	305	(2)
Concluding Remarks	307	(304)
References	309	(302)
Combined Index Appears at the End of Volume 22	611	(10)
Contents of Volumes in This Serial	621