Computing and data science skills are without doubt extremely valuable for modern (chemical) engineers. Big data, machine learning, predictive modeling, decision science and similar terms are ever-present in job posting, scientific literature, funding announcements, and popular news. Yet, many chemical engineers lack a background in the fundamentals of computer programming, applied statistics, and mathematical modeling for problem solving. Often, student excitement in data-centric topics manifest through self-study with tutorials, extracurricular projects, and online classes whereby students assemble a toolbox of skills but do not learn the fundamentals that transcend each technique.

In this contribution, I will discuss our ongoing efforts at the University of Notre Dame to create a coherent, integrated strategy for computing and data analysis in the undergraduate curriculum. A key focus is retooling the sophomore-level “Numerical and Statistical Analysis” course (required) to provi... [more]

In this talk, I give an overview of the chemical engineering curriculum at McMaster University as it relates to the 1.5 year process design sequence. The courses outside the design sequence were recently restructured and redesigned to create an environment with more modelling and algorithmic thinking/algorithmic problem solving. This includes a statistics course and a big data / machine learning course. The end result is that the design sequence is able to focus on state of the art tools and methods for process design because students receive many fundamental principles before the design sequence begins.

The petroleum coke gasification integrated gasification combined cycle power plant (petcoke-IGCC) is a promising avenue for disposal of the ever-growing amount of stockpiled petroleum coke. In this work, we present a novel techno-economic and life cycle assessment of the process operated with carbon capture and sequestration. The proposed petcoke-to-electricity plant is designed and simulated in Aspen Plus v10. The proposed power plant was compared against coal integrated gasification combined cycle (coal-IGCC) and supercritical pulverized coal power plants operated with carbon capture and sequestration. The results showed that although the efficiency of the coal-IGCC plant is higher than the petcoke-IGCC plant, the higher energy density of the petcoke and lower resource costs were such that the levelized cost of electricity of petcoke-IGCC was lower than coal-IGCC. Furthermore, the feed flow rate of petcoke to the petcoke-IGCC process is approximately 15% lower than the coal feed rate... [more]

This presentation makes the case for the development of a new ISO standard for conduction eco-technoeconomic analyses (eTEAs) within the field of energy systems engineering and chemical process systems engineering. The talk provides a motivating example of a recent study that showed how standardization of eTEAs made it possible to make fair comparisons between different types of power plants using carbon capture and sequestration by using eTEAs reported in the literature that have been converted to certain standards. That lead to informed decisions which were not possible without standardization methods, because it major variables are controlled such that analyses can focus on the value of the process concept itself rather than external factors like size, financing, and case-specific assumptions. Then, the talk outlines how the proposed ISO standards would work, their goals and scope, examples of standard practices, methods, and assumptions that could be used and what they might look l... [more]

The dynamic response of continuous processes is a key issue for their control. To represent this
response, first order models are used, mainly because of their simplicity and the lack of simple methods for parameter estimation of higher order models. Although first order models may be sufficient in many cases, there are times when a higher order model needs to be used to achieve good control. This paper presents a simple graphical procedure for the estimation of the two time constants, the gain, and the dead time of a second order linear model. The procedure uses only four readings from the step response curve of the processes, and very simple formulas to determine parameter values.

Fluid CokingTM is a process to upgrade heavy oils through thermal cracking. Oil is injected in a downward-flowing bed of hot coke particles, where it heats up and cracks into smaller vapour molecules. The down-flowing coke particles are sent to a burner where they are reheated and send back to the reactor to provide heat for cracking reactions. Liquid sprayed with atomization gas into a fluidized bed forms a jet cavity that absorbs bubbles from the bubbling bed and periodically releases a large bubble from its tip. The jet penetration length, thus, cycles. With a faster jet cycle, the liquid is distributed more uniformly inside the bed, which is highly desirable. Poor liquid distribution increases the formation of wet agglomerates that slow down the coking reactions and lead to operating problems in commercial Fluid CokersTM. A novel method is proposed to measure the jet penetration and cycle time in large, room-temperature fluidized beds. It is applied to the study of jet cavities fro... [more]

In this study, a novel biomass-gas-and-nuclear-to-liquids (BGNTL) process is proposed. In this process, nuclear heat is used as the heat source of a steam methane reforming (SMR) process. In a prior work, a rigorous model was developed for the integrated nuclear heat and steam methane reforming process in the gPROMS software package. This model was applied to simulate the integrated nuclear heat and SMR section of BGNTL in Aspen Plus within the other process sections. The BGNTL process was considered for producing different fuels including gasoline & diesel or dimethyl ether (DME). Carbon capture and sequestration (CCS) is considered as an optional section. The performance of the BGNTL process was compared against a non-nuclear process called biomass-and-gas-to-liquids (BGTL). The efficiency, economics, and environmental impact analyses show that the BGNTL process to produce DME is the most efficient, economic and environmentally friendly process among the considered designs. As a resu... [more]

Waste petcoke can be converted to liquid fuels instead of stockpiling which reduces the net CO2 emission by displacing additional petroleum usage. In this study, three petcoke to liquid fuels designs were compared based on the following performance criteria: conversion efficiency, economics, and environmental impacts. The designs considered were petcoke gasification only, a combination of natural gas reforming and petcoke gasification, and natural gas reforming integrated in the petcoke gasification step. The processes were modeled and simulated using a combination of Aspen Plus v10, ProMax, and gProms software. Each of the configurations were designed to operate with and without carbon capture and sequestration (CCS) technology along with a corresponding carbon emission penalty. Performance metrics analyzed were the net present value, minimum diesel selling price, cost of CO2 avoided, and cradle to plant exit gate life cycle greenhouse gas emissions. From the analysis, the integration... [more]

Solid oxide fuel cells (SOFCs) produce power with higher efficiency and lower greenhouse gas emission than conventional power production systems such as coal/natural gas power plants. However, a major challenge with SOFCs is that they degrade over time, leading to a short lifetime and limiting their commercialization. When operated in constant power mode—the most common way of baseload power production—the lifetime of an SOFC is as short as around 1.5 years. As an SOFC starts to degrade, the fuel rate and current density must increase in order to compensate and keep power production at a constant level. This compounds the problem by actually increasing the rate of degradation further, resulting in an exponentially increasing degradation rate and therefore a short lifetime.
It has recently been found that by operating the SOFC differently with constant voltage instead of power, the degradation rate can be slowed such that the cell lifetime can be increased to around 13-14 years. In th... [more]

Use rolling horizon model to solve the gasoline blend planning under uncertainty in products demands. We show that an aggregated model based on supply-demand pinch points can improve executions times greatly

We conducted a meta-study of CO2 capture processes, examining nearly 100 techno-economic analyses published in the recent open literature. Normally, it is difficult to compare one study to another because each study uses its own set of assumptions, such as plant scale, geography, market parameters, and inconsistent definitions of key metrics such as the cost of CO2 avoided (CCA). In this work, we present normalized versions of these studies using a consistent basis of comparison, such as net power delivered, base year of operation, pipeline CO2 pressure, currency, country of construction, and so on. In so doing, we are able to draw meaningful conclusions and direct comparisons between different classes of CO2 capture technology. The technologies considered include coal and gas-based processes using capture strategies including solvent-based post-combustion carbon capture, gasification-based strategies, membrane-based approaches, oxyfuel combustion, chemical looping combustion, calcium... [more]

In this study, a dynamic and two-dimensional model for a steam methane reforming process integrated with nuclear heat production was developed. The model is based on first principals and considers the conservation of mass, momentum and energy within the system. Very few model parameter needed to be fit based on the experimental data reported in the literature. Using the fitted model and existing data, an industrial scale design for the integrated steam reforming and nuclear heat process is proposed. The system performance was analyzed by studying the dynamic behaviour of the key variables of the system. It has been shown that the methane conversion in the SMR tubes are generally lower than conventional reforming processes due to the low temperature of the gas flows in the shell side. Several options were investigated to increase the conversion of the methane in the SMR tubes, we found that combining steam reforming with dry reforming processes together can provide significant improveme... [more]

In this study, a new Biomass-Gas-Nuclear heat-To-Liquid fuel (BGNTL) process is presented which uses high-temperature nuclear heat as the heat source for steam methane reforming (SMR). This process co-produces liquid fuels (Fischer-Tropsch liquids, methanol and DME) and power. The BGNTL process was simulated using a combination of different software packages including gPROMS, MATLAB, ProMax, and Aspen Plus. This included the use of a rigorous multi-scale model for the nuclear-heat-powered SMR reactor which was developed in a prior work in gPROMS. Energy efficiency and cradle-to-grave life cycle inventory and life-cycle impact analyses of greenhouse gas (GHG) emissions were accomplished to analyze the environmental impacts of the BGNTL system. Plant performance was compared with a base case Biomass-Gas-To-Liquid (BGTL) process at the same size. In both processes, a carbon capture and storage (CCS) option is considered. It has been found that both processes result in negative total life... [more]

Integrated process and control design approach for cyclic distillation columns is proposed. The design methodology is based on application of simple graphical design approaches, known from simpler conventional distillation columns. Here, a driving force approach and McCabe-Thiele type analysis is combined. It is demonstrated, through closed-loop and open-loop analysis, that operating the column at the largest available driving force results in an optimal design in terms of controllability and operability. The performance of a cyclic distillation column designed to operate at the maximum driving force is compared to alternative sub-optimal designs. The results suggest that operation at the largest driving force is less sensitive to disturbances in the feed and inherently has the ability to efficiently reject disturbances.

This paper describes the progress of our efforts to lead the CACHE (Computer Aids for Chemical Engineering Education) Task Force in transforming from chemical process design toward chemical product design. Through CACHE, we are coordinating the development of a library of product-design case studies. Beginning with preliminary product designs created previously over several semesters, we are arranging for faculty experts, knowledgeable in the underlying technology platforms, to work with student groups to enrich the product designs. Over a 3-year period, a collection of approximately 25 case studies is being prepared. This article describes the research envisioned as innovative product designs are created, both egarding applications of new technologies, and product design evolution/evaluation; and in advancing strategies for teaching product design. The anticipated use of these case studies in departments worldwide for design courses taught by similar technology experts, just a few in... [more]

We present an overview of the current state-of-the-art of the field of chemical process and product synthesis and design. In this talk, we outline some of the most interesting new challenges and directions for the field, including: new pushes for including renewable energy into chemical systems, related issues with energy storage, the move toward flexible and unsteady-state chemical processes, the considerations of uncertainty into the design process, new advances in specialty processes, process intensification, modularization, and more. Also, we announce and present the PSE Technology Tree Wiki, a community-based encyclopedia for the PSE community that organizes concepts into a technology tree. We also announce and present LAPSE: the Living Archive for Process Systems Engineering, a new open-data / open-access repository for the PSE community, which contains unique and innovative features designed to foster better dissemination of research, easy access to open models and simulations,... [more]