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This dissertation deals with applications of Prolog and Artificial Intelligence (AI) to chemical engineering, and in particular, to the area of chemical process synthesis. We introduce the language Prolog (chapters 1-9), discuss AI techniques (chapters 10-11), discuss EXSEP, the EXpert System for SEParation Synthesis (chapters 12-15), and summarize applications of both AI and Artificial Neural Networks (ANNs) to chemical engineering (chapters 16-17). We have developed EXSEP, a knowledge-based system that performs separation process synthesis. EXSEP is a computer-aided design tool that can generate flowsheets using any combination of high-recovery (sharp) and low-recovery (nonsharp) separations, using a variety of separation methods with energy and mass separating agents. EXSEP generates separation process flowsheets using a unique plan-generate-test approach that incorporates computer-aided tools and techniques for problem representation and simplification, feasibility analysis of separation tasks, and heuristic synthesis and evolutionary improvement. A difficult problem in knowledge-based approaches to chemical engineering is the "quantitative or deep knowledge dilemma." Experience has shown that a strictly qualitative knowledge approach to chemical process synthesis is insufficient. However, including rigorous quantitative analysis into an expert system is cumbersome and impractical. EXSEP overcomes this deep-knowledge dilemma through a unique knowledge representation and problem-solving strategy that includes shortcut design calculations. These calculations are used as a feasibility test for all separations; no separation is chosen by EXSEP unless it is deemed as thermodynamically feasible through this quantitative, deep-knowledge, engineering analysis. We apply EXSEP for the flowsheet synthesis of several industrial separations problems. The results show that EXSEP successfully generates technically feasible and economically attractive process flowsheets accurately and efficiently. EXSEP is also user-friendly, and can be readily applied by practicing engineers using a personal computer. In addition, EXSEP is developed modularly, and can be easily expanded in the future to include additional separation methods. / Ph. D.

Thesis (M.Tech.: Chemical Engineering)-Dept. of Chemical Engineering, Durban University of Technology, 2005 1 v. (various pagings) / In bubble-less aeration oxygen diffuses through the membrane in a molecular form and dissolves in the liquid. Oxygen is fed through the lumen side of silicone rubber tube. On the outer surface of the membrane there is a boundary layer that is created by oxygen. This then gets transported to the bulk liquid by convective transport created by water circulation through the pump. The driving force of the convective transport is due to concentration difference between the dissolved oxygen in water and oxygen saturation concentration in water at a particular temperature and pressure. The design of a membrane aerated bioreactor needs an understanding of the factors that govern oxygen mass transfer. It is necessary to know the effects of operating conditions and design configurations. Although various methods of bubble-less aeration have been reported, there still exists a lack of knowledge on the immersed membrane systems. This study is aiming at contributing to the development of an immersed membrane bioreactor using silicone rubber tubular membrane as means of providing oxygen. The secondary objective was to investigate the influence that the operating conditions and module configuration have on the system behaviour. From the experimental study, the characteristic dissolved oxygen -time curve show that there is a saturation limit equivalent to the equilibrium dissolved oxygen concentration, after which there is no increase in dissolved oxygen with time. At ambient conditions the equilibrium dissolved oxygen is approximately 8 mg/L. This is when water is in contact with air at one atmospheric pressure. At the same conditions the equilibrium dissolved oxygen concentration when water is in contact with pure oxygen is approximately 40 mg/L. This is why all the experiments were conducted from 2mg/L dissolved oxygen concentration in water, to enable enough time to reach equilibrium so as to determine mass transfer coefficient. The most important parameters that were investigated to characterise the reactor were, oxygen supply pressure, crossflow velocity, temperature and module orientation. Observations from the experimental study indicated that when the system is controlled by pressure, crossflow does not have a significant effect on mass transfer. When the system is controlled by the convective transport from the membrane surface to the bulk liquid, pressure does not have a significant effect on mass transfer. All four effects that were investigated in the study are discussed.

Thesis (M.Tech.: Chemical Engineering)-Dept. of Chemical Engineering, Durban University of Technology, 2005 1 v. (various pagings) / In bubble-less aeration oxygen diffuses through the membrane in a molecular form and dissolves in the liquid. Oxygen is fed through the lumen side of silicone rubber tube. On the outer surface of the membrane there is a boundary layer that is created by oxygen. This then gets transported to the bulk liquid by convective transport created by water circulation through the pump. The driving force of the convective transport is due to concentration difference between the dissolved oxygen in water and oxygen saturation concentration in water at a particular temperature and pressure. The design of a membrane aerated bioreactor needs an understanding of the factors that govern oxygen mass transfer. It is necessary to know the effects of operating conditions and design configurations. Although various methods of bubble-less aeration have been reported, there still exists a lack of knowledge on the immersed membrane systems. This study is aiming at contributing to the development of an immersed membrane bioreactor using silicone rubber tubular membrane as means of providing oxygen. The secondary objective was to investigate the influence that the operating conditions and module configuration have on the system behaviour. From the experimental study, the characteristic dissolved oxygen -time curve show that there is a saturation limit equivalent to the equilibrium dissolved oxygen concentration, after which there is no increase in dissolved oxygen with time. At ambient conditions the equilibrium dissolved oxygen is approximately 8 mg/L. This is when water is in contact with air at one atmospheric pressure. At the same conditions the equilibrium dissolved oxygen concentration when water is in contact with pure oxygen is approximately 40 mg/L. This is why all the experiments were conducted from 2mg/L dissolved oxygen concentration in water, to enable enough time to reach equilibrium so as to determine mass transfer coefficient. The most important parameters that were investigated to characterise the reactor were, oxygen supply pressure, crossflow velocity, temperature and module orientation. Observations from the experimental study indicated that when the system is controlled by pressure, crossflow does not have a significant effect on mass transfer. When the system is controlled by the convective transport from the membrane surface to the bulk liquid, pressure does not have a significant effect on mass transfer. All four effects that were investigated in the study are discussed.

Indiana University-Purdue University Indianapolis (IUPUI) / As liver disease becomes more prevalent, the development of an in vitro culture system to study disease progression and its repair mechanisms is essential. Typically, 2D cultures are used to investigate liver cell (e.g., hepatocyte) function in vitro; however, hepatocytes lose function rapidly when they were isolated from the liver. This has promoted researchers to develop 3D scaffolds to recreate the natural microenvironment of hepatic cells. For example, gelatin-based hydrogels have been increasingly used to promote cell fate processes in 3D. Most gelatin-based systems require the use of physical gelation or non-specific chemical crosslinking. Both of these methods yield gelatin hydrogels with highly interdependent material properties (e.g., bioactivity and matrix stiffness). The purpose of this thesis research was to prepare modularly crosslinked gelatin-based hydrogels for studying the influence of independent matrix properties on hepatic cell fate in 3D. The first objective was to establish tunable gelatin-based thiol-norbornene hydrogels and to demonstrate that the mechanical and biological properties of gelatin hydrogels can be independently adjusted. Furthermore, norbornene and heparin dual-functionalized gelatin (i.e., GelNB-Hep) was prepared and used to sequester and slowly release hepatocyte growth factor (HGF). The second objective was to investigate the viability and functions of hepatocytes encapsulated in gelatin-based hydrogels. Hepatocellular carcinoma cells, Huh7, were used as a model cell type to demonstrate the cytocompatibility of the system. The properties of GelNB hydrogels were modularly tuned to systematically evaluate the effects of matrix properties on cell viability and functions, including CYP3A4 activity and urea secretion. The last objective was to examine the effect of heparin immobilization on hepatocyte viability and functions. The conjugation of heparin onto GelNB led to suppressed Huh7 cell metabolic activity and improved hepatocellular functions. This hybrid hydrogel system should provide a promising 3D cell culture platform for studying cell fate processes.