Process Systems Engineering Tools Research Articles

Challenges and opportunities in carbon capture, utilization and storage: A process systems engineering perspective

Carbon capture, utilization, and storage (CCUS) is a promising pathway to decarbonize fossil-based power and industrial sectors and is a bridging technology for a sustainable transition to a net-zero emission energy future. This work provides an overview of process systems engineering (PSE) research challenges, advances, and opportunities for CCUS applications. We review PSE methods, tools, and techniques in process modeling, simulation, optimization, control, material screening, strategic planning, and supply chain network design for CO2 management. We also attempt to give a PSE perspective on emerging CCUS research interests in molecular and materials systems engineering, multiscale modeling and optimization, systems design and integration under uncertainty, and the application of intelligent systems. The purpose is not to cover all aspects of PSE research for CCUS but rather to foster discussion by presenting some plausible future directions and ideas.

Optimizing Resource Conservation Networks: Overcoming Barriers with Process Systems Engineering

Climate change continues to be the major environmental challenge of this century. Some of its effects may include more severe weather conditions, increased incidence of water scarcity, and the potential of pandemic outbreaks, to name a few. Scientific research has thus looked into various strategies to address this problem. These include reducing the generation of greenhouse gas emissions (GHGs) through the implementation of low carbon technologies and transitioning towards a more circular economy through improved resource efficiency. The challenge is in identifying which among the available options would yield the best results. The field of process systems engineering (PSE) which is a computational branch of chemical engineering, provides rigorous methods for analyzing systems which can be used to support decision making. These methodologies have been implemented at various scales to identify strategies which can improve the environmental performance of industrial systems. It has been utilized for optimizing operations of industrial processes, managing resources in eco-industrial parks, greening the product supply chain, and even analyzing strategies for reducing national carbon emissions. This work provides an overview of how PSE tools can be utilized for the design of more sustainable systems and showcases how it can be used at various levels of implementation.

A Review of Process Systems Engineering (PSE) Tools for the Design of Ionic Liquids and Integrated Biorefineries

In this review paper, a brief overview of the increasing applicability of Process Systems Engineering (PSE) tools in two research areas, which are the design of ionic liquids and the design of integrated biorefineries, is presented. The development and advances of novel computational tools and optimization approaches in recent years have enabled these applications with practical results. A general introduction to ionic liquids and their various applications is presented followed by the major challenges in the design of optimal ionic liquids. Significant improvements in computational efficiency have made it possible to provide more reliable data for optimal system design, minimize the production cost of ionic liquids, and reduce the environmental impact caused by such solvents. Hence, the development of novel computational tools and optimization tools that contribute to the design of ionic liquids have been reviewed in detail. A detailed review of the recent developments in PSE applications in the field of integrated biorefineries is then presented. Various value-added products could be processed by the integrated biorefinery aided with applications of PSE tools with the aim of enhancing the sustainability performance in terms of economic, environmental, and social impacts. The application of molecular design tools in the design of integrated biorefineries is also highlighted. Major developments in the application of ionic liquids in integrated biorefineries have been emphasized. This paper is concluded by highlighting the major opportunities for further research in these two research areas and the areas for possible integration of these research fields.

Fuzzy P-graph for optimal synthesis of cogeneration and trigeneration systems

Cogeneration systems provide an efficient means of producing electricity and heat, while trigeneration systems extend the concept by producing an additional output in the form of cooling. Such systems are more efficient than stand-alone production of separate product streams due to the inherent opportunities for Process Integration. Additional advantages include operational flexibility, which can be achieved by varying the outputs of component process units, or switching them on and off selectively as the need arises. Various Process Systems Engineering tools such as Mathematical Programming and P-graph have been used for the synthesis of such plants, most of which work on deterministic assumptions. In this work, a fuzzy P-graph approach is developed for the optimal synthesis of cogeneration and trigeneration systems. This approach assumes that product demand and fuel availability are specified as fuzzy constraints, or fuzzy ranges, instead of exact values. Two case studies are used to illustrate how the fuzzy P-graph method identifies sets of optimal and near-optimal designs that meet the specified fuzzy constraints.

A Perspective on Challenges and Prospects for Applying Process Systems Engineering Tools to Fermentation-Based Biorefineries

Unlike traditional chemical and petrochemical processes, Process Systems Engineering (PSE) tools and methods have not been routinely applied for the design, analysis, and optimization of fermentation-based biorefineries. This has greatly limited the ability to analyze these biomass-based processes, thus also limiting the potential profitability of biorefinery processes. This Perspective elucidates the challenges currently hindering the application of traditional PSE tools and methods to fermentation-based biorefineries. The current state of process simulators and mathematical models, the backbone of PSE, as applied to fermentation-based processes are addressed. Further, this contribution includes a proposed framework that can be applied to fermentation-based processes using existing process simulators with an illustrative case study to highlight how imperative PSE tools and methods are to the advancement of biorefineries. Finally, the future needs and prospects for using traditional PSE tools and methods for the design, analysis, and optimization of fermentation-based biorefineries to provide sustainable alternatives to existing processes and fossil-based products are discussed.

Superstructure-based Design and Optimization of Batch Biodiesel Production Using Heterogeneous Catalysts

Biodiesel as a fuel comprised of mono alkyl esters of long chain fatty acids derived from renewable lipid feedstock, such as vegetable oil and animal fat. Biodiesel production is complex process which need systematic design and optimization. However, no case study using the process system engineering (PSE) elements which are superstructure optimization of batch process, it involves complex problems and uses mixed-integer nonlinear programming (MINLP). The PSE offers a solution to complex engineering system by enabling the use of viable tools and techniques to better manage and comprehend the complexity of the system. This study is aimed to apply the PSE tools for the simulation of biodiesel process and optimization and to develop mathematical models for component of the plant for case A, B, C by using published kinetic data. Secondly, to determine economic analysis for biodiesel production, focusing on heterogeneous catalyst. Finally, the objective of this study is to develop the superstructure for biodiesel production by using heterogeneous catalyst. The mathematical models are developed by the superstructure and solving the resulting mixed integer non-linear model and estimation economic analysis by using MATLAB software. The results of the optimization process with the objective function of minimizing the annual production cost by batch process from case C is $23.2587 million USD. Overall, the implementation a study of process system engineering (PSE) has optimized the process of modelling, design and cost estimation. By optimizing the process, it results in solving the complex production and processing of biodiesel by batch.

Systematic Tools for the Conceptual Design of Inherently Safer Chemical Processes

Society is continuously facing challenges for safer chemical plants design, which is usually driven by economic criteria during the early steps of the design process, relegating safety concerns to the latest stages. This paper highlights the synergy of merging Process System Engineering tools with inherent safety principles. First, we design a superstructure that comprises several alternatives for streams, equipment, and process conditions, which exhibit different performance of economic and inherently safer indicators, the total annualized cost, and the Dow’s Fire and Explosion Index, respectively. The solution to this multiobjective problem is given by a Pareto set of solutions that indicates the existing trade-off between both objectives. The capabilities of the proposed framework are illustrated through two case studies, which solutions provide valuable insights into the design problem and are intended to guide decision-makers toward the adoption of inherently safer process alternatives.

English

The focus of this work is on process systems engineering (PSE) methods and tools, and especially on how such PSE methods and tools can be used to accelerate and support systematic bioprocess development at a miniature scale. After a short presentation of the PSE methods and the bioprocess development drivers, three case studies are presented. In the first example it is demonstrated how experimental investigations of the bi-enzymatic production of lactobionic acid can be modeled with help of a new mechanistic mathematical model. The reaction was performed at lab scale and the prediction quality analyzed. In the second example a computational fluid dynamic (CFD) model is used to study mass transfer phenomena in a microreactor. In this example the model is not only used to predict the transient dynamics of the reactor system but also to extract material properties like the diffusion velocities of substrate and product, which is otherwise difficult to access. In the last example, a new approach to the design of microbioreactor layouts using topology optimization is presented and discussed. Finally, the PSE methods are carefully discussed with respect to the complexity of the presented approaches, the applicability with respect to practical considerations and the opportunity to analyze experimental results and transfer the knowledge between different scales.

Active pharmaceutical ingredient (API) production involving continuous processes – A process system engineering (PSE)-assisted design framework

A systematic framework is proposed for the design of continuous pharmaceutical manufacturing processes. Specifically, the design framework focuses on organic chemistry based, active pharmaceutical ingredient (API) synthetic processes, but could potentially be extended to biocatalytic and fermentation-based products. The method exploits the synergic combination of continuous flow technologies (e.g., microfluidic techniques) and process systems engineering (PSE) methods and tools for faster process design and increased process understanding throughout the whole drug product and process development cycle. The design framework structures the many different and challenging design problems (e.g., solvent selection, reactor design, and design of separation and purification operations), driving the user from the initial drug discovery steps – where process knowledge is very limited – toward the detailed design and analysis. Examples from the literature of PSE methods and tools applied to pharmaceutical process design and novel pharmaceutical production technologies are provided along the text, assisting in the accumulation and interpretation of process knowledge. Different criteria are suggested for the selection of batch and continuous processes so that the whole design results in low capital and operational costs as well as low environmental footprint. The design framework has been applied to the retrofit of an existing batch-wise process used by H. Lundbeck A/S to produce an API: zuclopenthixol. Some of its batch operations were successfully converted into continuous mode, obtaining higher yields that allowed a significant simplification of the whole process. The material and environmental footprint of the process – evaluated through the process mass intensity index, that is, kg of material used per kg of product – was reduced to half of its initial value, with potential for further reduction. The case-study includes reaction steps typically used by the pharmaceutical industry featuring different characteristic reaction times, as well as L–L separation and distillation-based solvent exchange steps, and thus constitutes a good example of how the design framework can be useful to efficiently design novel or already existing API manufacturing processes taking advantage of continuous processes.

Life cycle assessment (LCA) applied to the process industry: a review

Life cycle assessment (LCA) methodology is a well-established analytical method to quantify environmental impacts, which has been mainly applied to products. However, recent literature would suggest that it has also the potential as an analysis and design tool for processes, and stresses that one of the biggest challenges of this decade in the field of process systems engineering (PSE) is the development of tools for environmental considerations. This article attempts to give an overview of the integration of LCA methodology in the context of industrial ecology, and focuses on the use of this methodology for environmental considerations concerning process design and optimization. The review identifies that LCA is often used as a multi-objective optimization of processes: practitioners use LCA to obtain the inventory and inject the results into the optimization model. It also shows that most of the LCA studies undertaken on process analysis consider the unit processes as black boxes and build the inventory analysis on fixed operating conditions. The article highlights the interest to better assimilate PSE tools with LCA methodology, in order to produce a more detailed analysis. This will allow optimizing the influence of process operating conditions on environmental impacts and including detailed environmental results into process industry.

Sustainable Product Portfolio And Process Design Of The Forest Biorefinery

INTRODUCTION The North American forestry industry has been challenged in recent years by high energy costs, increasing fibre costs, and aging mill assets that have not been adequately modernized [1]. The so-called forest biorefinery (FBR) has emerged as an interesting candidate for reviving the industry. The FBR may use ligno-cellulosic (woody, agricultural) biomass as raw material and implies full utilization of biomass for the production of fibres, chemicals and/or energy, and thus offers an alternative strategy for its utilization. Its design should consider both the retrofit design of pulp and paper mill processes and the product portfolio [2]. There is an apparent complexity in this development, and therefore a rigorous design framework is needed. The concept of sustainability consists of three dimensions: economic, environmental and social. However, design typically emphasizes economic objectives for decision making between process alternatives, and the environmental and social aspects of alternatives are considered as constraints (e.g. [3; 4]). Multi-criteria decision making (MCDM) methods may be used to consider all sustainability dimensions as objectives. METHODOLOGY Design framework Figure 1 shows a design framework that takes into account the design of the product portfolio and biorefinery production process [7]. It consists of a set of process systems engineering (PSE) tools that together cover all aspects of FBR process and portfolio design. In this framework, an MCDM method is used for design decision making based on the analysis results using the PSE tools. MCDM methods raise the awareness of the decision maker(s) about the problem complexity and they can be used to address decision uncertainty.