Some examples of modeling in chemical engineering: thermal treatment of polymers, phase equilibrium calculations and process design

Presentation submitted to PSE Seminar, Chemical Engineering Department, Center for Advanced Process Design-making (CAPD), Carnegie Mellon University, Pittsburgh (USA), October 2012.

X lberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design (EQUIFASE): June 28-July 1, 2015 - Alicante (Spain): Book of Abstracts

The general purpose of the EQUIFASE Conference is to promote the Scientific and Technologic exchange between people from both the academic and the industrial environment in the field of Phase Equilibria and Thermodynamic Properties for the Design of Chemical Processes. Topics: Measurement of Thermodynamic Properties. Phase Equilibria and Chemical Equilibria. Theory and Modelling. Alternative Solvents. Supercritical Fluids. Ionic Liquids. Energy. Gas and oil. Petrochemicals. Environment and sustainability. Biomolecules and Biotechnology. Product and Process Design. Databases and Software. Education.

Simultaneous environmental and economic process synthesis of Isobutane Alkylation

This multidisciplinary study concerns the optimal design of processes with a view to both maximizing profit and minimizing environmental impacts. This can be achieved by a combination of traditional chemical process design methods, measurements of environmental impacts and advanced mathematical optimization techniques. More to the point, this paper presents a hybrid simulation-multiobjective optimization approach that at once optimizes the production cost and minimizes the associated environmental impacts of isobutane alkylation. This approach has also made it possible to obtain the flowsheet configurations and process variables that are needed to manufacture isooctane in a way that satisfies the above-stated double aim. The problem is formulated as a Generalized Disjunctive Programming problem and solved using state-of-the-art logic-based algorithms. It is shown, starting from existing alternatives for the process, that it is possible to systematically generate a superstructure that includes alternatives not previously considered. The optimal solution, in the form a Pareto curve, includes different structural alternatives from which the most suitable design can be selected. To evaluate the environmental impact, Life Cycle Assessment based on two different indicators is employed: Ecoindicator 99 and Global Warming Potential.

Review and extension of the McCabe-Thiele method covering multiple feeds, products and heat transfer stages

The McCabe-Thiele method is a classical approximate graphical method for the conceptual design of binary distillation columns which is still widely used, mainly for didactical purposes, though it is also valuable for quick preliminary calculations. Nevertheless, no complete description of the method has been found and situations such as different thermal feed conditions, multiple feeds, possibilities to extract by-products or to add or remove heat, are not always considered. In the present work we provide a systematic analysis of such situations by developing the generalized equations for: a) the operating lines (OL) of each sector, and b) the changeover line that provides the connection between two consecutive trays of the corresponding sectors separated by a lateral stream of feed, product, or a heat removal or addition.

A new paradigm: cloud agile manufacturing

Cloud Agile Manufacturing is a new paradigm proposed in this article. The main objective of Cloud Agile Manufacturing is to offer industrial production systems as a service. Thus users can access any functionality available in the cloud of manufacturing (process design, production, management, business integration, factories virtualization, etc.) without knowledge — or at least without having to be experts — in managing the required resources. The proposal takes advantage of many of the benefits that can offer technologies and models like: Business Process Management (BPM), Cloud Computing, Service Oriented Architectures (SOA) and Ontologies. To develop the proposal has been taken as a starting point the Semantic Industrial Machinery as a Service (SIMaaS) proposed in previous work. This proposal facilitates the effective integration of industrial machinery in a computing environment, offering it as a network service. The work also includes an analysis of the benefits and disadvantages of the proposal.

Cloud agile manufacturing

This paper proposes a new manufacturing paradigm, we call Cloud Agile Manufacturing, and whose principal objective is to offer industrial production systems as a service. Thus users can access any functionality available in the cloud of manufacturing (process design, production, management, business integration, factories virtualization, etc.) without knowledge — or at least without having to be experts — in managing the required resources. The proposal takes advantage of many of the benefits that can offer technologies and models like: Business Process Management (BPM), Cloud Computing, Service Oriented Architectures (SOA) and Ontologies. To develop the proposal has been taken as a starting point the Semantic Industrial Machinery as a Service (SIMaaS) proposed in previous work. This proposal facilitates the effective integration of industrial machinery in a computing environment, offering it as a network service. The work also includes an analysis of the benefits and disadvantages of the proposal.

Graphical Representation of the Changes of Sector for Particular Cases in the Ponchon Savarit Method

A graphical and systematic analysis of particular cases where the compositions of the streams developed in the rectification column coincide with one of the vapor (yGFk) or liquid (xGFk) portions generated from the GFk can be found in this material (i.e.: yGFk=yk+1,1 or xGFk=xk,NTk).

Analysis of the Connecting Zone between Consecutive Sections in Distillation Columns Covering Multiple Feeds, Products and Heat Transfer Stages

In the present work, we provide a systematic analysis about all tine streams involved in the zone connecting two consecutive sections for the design of distillation columns with different thermal feed conditions, product extractions and heat additions or withdrawals. This analysis allows a better understanding of what happens on a feed or side draw (of mass or energy) stage, what compositions are or are not in equilibrium, and the impact on internal liquid and vapor flows.

Supplementary Material: Analysis of the Connecting Zone Between Consecutive Sections in Distillation Columns Covering Multiple Feeds, Products and Heat Transfer Stages

Supplementary Material: J.A. REYES-LABARTA, M.D. SERRANO and A. MARCILLA. ANALYSIS OF THE CONNECTING ZONE BETWEEN CONSECUTIVE SECTIONS IN DISTILLATION COLUMNS COVERING MULTIPLE FEEDS, PRODUCTS AND HEAT TRANSFER STAGES. Latin American Applied Research an International Journal of Chemical Engineering. 2014, vol. 44(4), 307-312 (http://www.laar.uns.edu.ar/indexes/artic_v4404/44_04_307.pdf)

Rigorous Design of Complex Distillation Columns Using Process Simulators and the Particle Swarm Optimization Algorithm

We present a derivative-free optimization algorithm coupled with a chemical process simulator for the optimal design of individual and complex distillation processes using a rigorous tray-by-tray model. The proposed approach serves as an alternative tool to the various models based on nonlinear programming (NLP) or mixed-integer nonlinear programming (MINLP) . This is accomplished by combining the advantages of using a commercial process simulator (Aspen Hysys), including especially suited numerical methods developed for the convergence of distillation columns, with the benefits of the particle swarm optimization (PSO) metaheuristic algorithm, which does not require gradient information and has the ability to escape from local optima. Our method inherits the superstructure developed in Yeomans, H.; Grossmann, I. E.Optimal design of complex distillation columns using rigorous tray-by-tray disjunctive programming models. Ind. Eng. Chem. Res.2000, 39 (11), 4326–4335, in which the nonexisting trays are considered as simple bypasses of liquid and vapor flows. The implemented tool provides the optimal configuration of distillation column systems, which includes continuous and discrete variables, through the minimization of the total annual cost (TAC). The robustness and flexibility of the method is proven through the successful design and synthesis of three distillation systems of increasing complexity.

The Virtual Interactive Relationship Between BIM Project Teams: Effective Communication to aid Collaboration in the Design Process

Building Information Modelling (BIM) provides a shared source of information about a built asset, which creates a collaborative virtual environment for project teams. Literature suggests that to collaborate efficiently, the relationship between the project team is based on sympathy, obligation, trust and rapport. Communication increases in importance when working collaboratively but effective communication can only be achieved when the stakeholders are willing to act, react, listen and share information. Case study research and interviews with Architecture, Engineering and Construction (AEC) industry experts suggest that synchronous face-to-face communication is project teams’ preferred method, allowing teams to socialise and build rapport, accelerating the creation of trust between the stakeholders. However, virtual unified communication platforms are a close second-preferred option for communication between the teams. Effective methods for virtual communication in professional practice, such as virtual collaboration environments (CVE), that build trust and achieve similar spontaneous responses as face-to-face communication, are necessary to face the global challenges and can be achieved with the right people, processes and technology. This research paper investigates current industry methods for virtual communication within BIM projects and explores the suitability of avatar interaction in a collaborative virtual environment as an alternative to face-to-face communication to enhance collaboration between design teams’ professional practice on a project. Hence, this paper presents comparisons between the effectiveness of these communication methods within construction design teams with results of further experiments conducted to test recommendations for more efficient methods for virtual communication to add value in the workplace between design teams.