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Simultaneous process and molecular design/selection through property integrationQin, Xiaoyun 25 April 2007 (has links)
The overall purpose of this work is to develop systematic methodology for the
simultaneous design and selection of processes and molecules (materials). A propertybased
approach is used to develop an interface between process and molecular
design/selection. In particular, we focus on the problem of designing/selecting materials
that are used in the context of a recycle/reuse system of process streams and for energy
applications. Fresh and recycled resources (e.g., process streams, biomass, solvents, etc.)
are integrated with the process to satisfy property-based constraints for the process units
and to optimize the usage of the resources and the design of the process. For molecular
design, property operators for mixing streams and group contribution methods (GCM)
are used to consistently represent process sources, sinks, and different functional groups
on the same property-base. For material selection, property based criteria (e.g., heat rate,
high heating value, etc.) are used to bridge the process with material. This consistent
representation enables the definition of the optimization problem formulation for product
design while taking into consideration the recycle/reuse of process streams. In particular,
this dissertation addresses four integrated topics. First, a new graphical approach for
material targeting and substitution is presented. This graphical approach offers initial
solutions and valuable insights that can be effectively used for conceptual design and for
initializing mathematical programming techniques. Second, a mathematical optimization
approach is developed along with a decomposition-based global solution procedure for
material targeting and substitution using property integration. Third, an implementation
approach is developed to synthesize the details of a recycle/reuse process network design based on the targets identified through the graphical and/or the mathematical approaches.
Finally, property integration techniques are extended to a broader scope which deals with
the lifecycle analysis of biomass utilization for energy generation. A generic model is
developed to optimize the types and quantities of the feedstocks used to optimize power
generation with biomass-fossil fuel co-fed system. Important issues of biomass growth,
harvesting, transportation, processing, and disposal are included. Property-based tracking
and constraints are included in the analysis. Also, the issues associated with greenhouse
gas (GHG) emissions are incorporated in the analysis. Case studies are solved throughout
the dissertation to demonstrate the applicability of the developed procedures.
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Novel visualization and algebraic techniques for sustainable development through property integrationKazantzi, Vasiliki 25 April 2007 (has links)
The process industries are characterized by the significant consumption of fresh
resources. This is a critical issue, which calls for an effective strategy towards more
sustainable operations. One approach that favors sustainability and resource
conservation is material recycle and/or reuse. In this regard, an integrated framework is
an essential element in sustainable development. An effective reuse strategy must
consider the process as a whole and develop plant-wide strategies. While the role of
mass and energy integration has been acknowledged as a holistic basis for sustainable
design, it is worth noting that there are many design problems that are driven by
properties or functionalities of the streams and not by their chemical constituency. In this
dissertation, the notion of componentless design, which was introduced by Shelley and
El-Halwagi in 2000, was employed to identify optimal strategies for resource
conservation, material substitution, and overall process integration.
First, the focus was given on the problem of identifying rigorous targets for material
reuse in property-based applications by introducing a new property-based pinch analysis
and visualization technique. Next, a non-iterative, property-based algebraic technique,
which aims at determining rigorous targets of the process performance in materialrecycle
networks, was developed. Further, a new property-based procedure for
determining optimal process modifications on a property cluster diagram to optimize the
allocation of process resources and minimize waste discharge was also discussed. In
addition, material substitution strategies were considered for optimizing both the process
and the fresh properties. In this direction, a new process design and molecular synthesis methodology was evolved by using the componentless property-cluster domain and
Group Contribution Methods (GCM) as key tools in developing a generic framework
and systematic approach to the problem of simultaneous process and molecular design.
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Chemical process optimization and pollution prevention via mass and property integrationHortua, Ana Carolina 15 May 2009 (has links)
The process industries such as petrochemicals, chemicals and pharmaceuticals, among
others, consume large amounts of material and energy resources. These industries are also
characterized by generating enormous amounts of waste that significantly contribute to the
pollution of the environment. Integrated process design is a very effective technique in
conserving process resources and preventing pollution. The design and environmental
constraints may involve a variety of component- and property-based restrictions. To date,
most techniques have been developed to handle process constraints which is either
composition-based (via mass integration) or property-based. No work has been reported to
handle the synthesis of resource conservation network that is governed by both constraints.
The objective of this work is to develop a systematic and cost-effective design technique
that is aimed at minimizing the consumption of fresh resources and the discharge of
pollutants simultaneously. Because of the nature of the component- and property-based
constraints, this approach is based on mass and property integration and takes into account
the process constraints and also environmental regulations. In this research work, a new approach has been developed to simultaneously address
component-based recycle constraints as well as property-based discharge constraints. The
proposed optimization technique is intended to minimize the consumption of fresh
resources, the pollutant content in the waste streams, and the operational and waste
treatment costs. Additionally, a mixed-integer nonlinear programming (MINLP)
formulation is solved for a case study of phenol production from cumene hydroperoxyde to
illustrate the new problem and devised solution algorithm.
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