Sustainable design and synthesis of algae‐based biorefinery for simultaneous hydrocarbon biofuel production and carbon sequestration

The superstructure optimization of algae‐based hydrocarbon biorefinery with sequestration of CO₂ from power plant flue gas is proposed. The major processing steps include carbon capture, algae growth, dewatering, lipid extraction and power generation, and algal biorefinery. We propose a multiobjective mixed‐integer nonlinear programming (MINLP) model that simultaneously maximizes the net present value (NPV) and minimizes the global warming potential (GWP) subject to technology selection constraints, mass balance constraints, energy balance constraints, technoeconomic analysis constraints, and environmental impact constraints. The model simultaneously determines the optimal decisions that include production capacity, size of each processing unit, mass flow rates at each stage of the process, utility consumption, economic, and environmental performances. We propose a two‐stage heuristic solution algorithm to solve the nonconvex MINLP model. Finally, the bicriteria optimization problem is solved with ε‐constraint method, and the resulting Pareto‐optimal curve reveals the trade‐off between the economic and environmental criteria. The results show that for maximum NPV, the optimal process design uses direct flue gas, a tubular photobioreactor for algae growth, a filtration dewatering unit, and a hydroprocessing pathway leading to 47.1 MM gallons of green diesel production per year at $6.33/gal corresponding to GWP of 108.7 kg CO₂‐eq per gallon. © 2013 American Institute of Chemical Engineers AIChE J, 59: 1599–1621, 2013     

Sustainable design of geothermal energy systems for electric power generation using life cycle optimization

This article addresses the sustainable design of organic Rankine cycle-based geothermal binary power systems under economic and environmental criteria. A novel superstructure with multiple heat source temperatures, working fluids, and heat rejection systems is proposed. Based on the superstructure, a life cycle optimization model is formulated as a mixed-integer nonlinear fractional program (MINFP) to determine the optimal design. The nonconvex MINFP is efficiently solved by a tailored global optimization algorithm. Two case studies are considered to demonstrate the proposed modeling framework and solution algorithm. One case is based on a geothermal energy system located in California, and the other one is in New York (NY) State. The results show that the geothermal energy system in California is much more economically competitive than that in NY State. The difference in life cycle environmental impacts is less pronounced because the environmental impacts are less sensitive to geological conditions than the capital investments.     

Optimal processing network design under uncertainty for producing fuels and value‐added bioproducts from microalgae: Two‐stage adaptive robust mixed integer fractional programming model and computationally efficient solution algorithm

Fractional metrics, such as return on investment (ROI), are widely used for performance evaluation, but uncertainty in the real market may unfortunately diminish the results that are based on nominal parameters. This article addresses the optimal design of a large‐scale processing network for producing a variety of algae‐based fuels and value‐added bioproducts under uncertainty. We develop by far the most comprehensive processing network with 46,704 alternative processing pathways. Based on the superstructure, a two‐stage adaptive robust mixed integer fractional programming model is proposed to tackle the uncertainty and select the robust optimal processing pathway with the highest ROI. Since the proposed problem cannot be solved directly by any off‐the‐shelf solver, we develop an efficient tailored solution method that integrates a parametric algorithm with a column‐and‐constraint generation algorithm. The resulting robust optimal processing pathway selects biodiesel and poly‐3‐hydroxybutyrate as the final fuel and bioproduct, respectively. © 2016 American Institute of Chemical Engineers AIChE J, 63: 582–600, 2017     

Process synthesis using block superstructure with automated flowsheet generation and optimization

An alternative method for chemical process synthesis using a block‐based superstructure representation is proposed. The block‐based superstructure is a collection of blocks arranged in a two‐dimensional grid. The assignment of different equipment on blocks and the determination of their connectivity are performed using a mixed‐integer nonlinear formulation for automated flowsheet generation and optimization‐based process synthesis. Based on the special structure of the block representation, an efficient strategy is proposed to generate and successively refine feasible and optimized process flowsheets. Our approach is demonstrated using two process synthesis case studies adapted from the literature and one new process synthesis problem for methanol production from biogas © 2018 American Institute of Chemical Engineers AIChE J, 64: 3082–3100, 2018     

Sustainable process design and synthesis of hydrocarbon biorefinery through fast pyrolysis and hydroprocessing

The process design and synthesis of hydrocarbon biorefinery, which is composed of fast pyrolysis, biocrude collection, hydroprocessing and hydrogen production sections, under economic and environmental considerations are concerned. A superstructure is developed that includes multiple process alternatives in each stage of the process flow diagram. A bi‐criteria mixed integer nonlinear programming model is proposed to maximize the economic performance measured by the net present value and minimize the global warming potential according to life cycle assessment procedures. The bi‐criteria mixed integer nonlinear programming model is solved with the ε‐constraint method, and the resulting Pareto curve reveals the trade‐off between the economic and environmental performance of the process. The two selected “good choice” optimal designs indicate net present values of 573 and 93.6 $MM (unit costs of $3.43 and $5.26 per gallon of gasoline equivalent), corresponding to global warming potentials of 100 and 53 kton CO₂ equivalent per year (unit greenhouse emissions of 1.95 and 2.04 kg CO₂ per gallon of gasoline equivalent), respectively. © 2014 American Institute of Chemical Engineers AIChE J, 60: 980–994, 2014     

Phthalic anhydride production from hemicellulose solutions: Technoeconomic analysis and life cycle assessment

The process synthesis, technoeconomic analysis, and life cycle assessment (LCA) of a novel route for phthalic anhydride (PAN) production from hemicellulose solutions are presented. The production contains six steps including dehydration of xylose to furfural, reductive decarbonylation of furfural to furan, oxidation of furfural to maleic anhydride (MA), Diels‐Alder cycloaddition of furan, and MA to exo?4,10‐dioxa‐tricyclo[5.2.1.0]dec‐8‐ene‐3,5‐dione followed by dehydration to PAN in the presence of mixture of methanesulfonic acid and acetic anhydride (AAN) which is converted to acetyl methanesulfonate and acetic acid (AAD), and dehydration of AAD to AAN. The minimum selling price of PAN is determined to be $810/metric ton about half of oil‐based PAN. The coproduction of high‐value products is essential to improve the economics. Biomass feedstock contributes to the majority of cost. LCA results shows that biomass‐based PAN has advantages over oil‐based PAN to reduce climate change and fossil depletion however requires more water usage. © 2015 American Institute of Chemical Engineers AIChE J, 61: 3708–3718, 2015     

Optimal design of sustainable cellulosic biofuel supply chains: Multiobjective optimization coupled with life cycle assessment and input–output analysis

This article addresses the optimal design and planning of cellulosic ethanol supply chains under economic, environmental, and social objectives. The economic objective is measured by the total annualized cost, the environmental objective is measured by the life cycle greenhouse gas emissions, and the social objective is measured by the number of accrued local jobs. A multiobjective mixed‐integer linear programming (mo‐MILP) model is developed that accounts for major characteristics of cellulosic ethanol supply chains, including supply seasonality and geographical diversity, biomass degradation, feedstock density, diverse conversion pathways and byproducts, infrastructure compatibility, demand distribution, regional economy, and government incentives. Aspen Plus models for biorefineries with different feedstocks and conversion pathways are built to provide detailed techno‐economic and emission analysis results for the mo‐MILP model, which simultaneously predicts the optimal network design, facility location, technology selection, capital investment, production planning, inventory control, and logistics management decisions. The mo‐MILP problem is solved with an ε‐constraint method; and the resulting Pareto‐optimal curves reveal the tradeoff between the economic, environmental, and social dimensions of the sustainable biofuel supply chains. The proposed approach is illustrated through two case studies for the state of Illinois. © 2011 American Institute of Chemical Engineers AIChE J, 2012     

Waste high-density polyethylene recycling process systems for mitigating plastic pollution through a sustainable design and synthesis paradigm

This article addresses the sustainable design and synthesis of open-loop recycling process of waste high-density polyethylene (HDPE) under both environmental and economic criteria. We develop by far the most comprehensive superstructure for producing monomers, aromatic mixtures, and fuels from waste HDPE. The superstructure optimization problem is then formulated as a multi-objective mixed-integer nonlinear fractional programming (MINFP) problem to simultaneously optimize the unit net present value (NPV) and unit life cycle environmental impacts. A tailored global optimization algorithm integrating the inexact parametric algorithm with the branch-and-refine algorithm is applied to efficiently solve the resulting nonconvex MINFP problem. Results show that the optimal unit NPV ranges from $107.2 to $151.3 per ton of HDPE treated. Moreover, the unit life cycle greenhouse gas emissions of the most environmentally friendly HDPE recycling process are 0.40 ton CO₂-eq per ton of HDPE treated, which is 63% of that of the most economically competitive process design.     

A superstructure‐based mixed‐integer programming approach to optimal design of pipeline network for large‐scale CO2 transport

Pipeline transport is the major means for large‐scale and long‐distance CO₂ transport in a CO₂ capture and sequestration (CCS) project. But optimal design of the pipeline network remains a challenging problem, especially when considering allocation of intermediate sites, like pump stations, and selection of pipeline routes. A superstructure‐based mixed‐integer programming approach for optimal design of the pipeline network, targeting on minimizing the overall cost in a CCS project is presented. A decomposition algorithm to solve the computational difficulty caused by the large size and nonlinear nature of a real‐life design problem is also presented. To illustrate the capability of our models. A real‐life case study in North China, with 45 emissions sources and four storage sinks, is provided. The result shows that our model and decomposition algorithm is a practical and cost‐effective method for pipeline networks design. © 2014 American Institute of Chemical Engineers AIChE J, 60: 2442–2461, 2014     

Targeting climate-neutral hydrogen production: Integrating brown and blue pathways with green hydrogen infrastructure via a novel superstructure and simulation-based life cycle optimization

This article addresses the sustainable design of hydrogen (H₂) production systems that integrate brown and blue pathways with green hydrogen infrastructure. We develop a systematic framework to simultaneously optimize the process superstructure and operating conditions of steam methane reforming (SMR)-based hydrogen production systems. A comprehensive superstructure that integrates SMR with multiple carbon dioxide capture technologies, electrolyzers, fuel cells, and working fluids in the organic rankine cycle is proposed under varying operating conditions. A life cycle optimization model is then developed by integrating superstructure optimization, life cycle assessment approach, techno-economic assessment, and process optimization using extensive process simulation models and formulated as a mixed-integer nonlinear program. We find that the optimal unit-levelized cost of hydrogen ranges from $1.49 to $3.18 per kg H₂. Moreover, the most environmentally friendly process attains net-zero life cycle greenhouse gas emissions compared to 10.55 kg CO₂-eq per kg H₂ for the most economically competitive process design.     

Global optimization of large‐scale mixed‐integer linear fractional programming problems: A reformulation‐linearization method and process scheduling applications

Mixed‐integer linear fractional program (MILFP) is a class of mixed‐integer nonlinear programs (MINLP) where the objective function is the ratio of two linear functions and all constraints are linear. Global optimization of large‐scale MILFPs can be computationally intractable due to the presence of discrete variables and the pseudoconvex/pseudoconcave objective function. We propose a novel and efficient reformulation–linearization method, which integrates Charnes–Cooper transformation and Glover's linearization scheme, to transform general MILFPs into their equivalent mixed‐integer linear programs (MILP), allowing MILFPs to be globally optimized effectively with MILP methods. Extensive computational studies are performed to demonstrate the efficiency of this method. To illustrate its applications, we consider two batch scheduling problems, which are modeled as MILFPs based on the continuous‐time formulations. Computational results show that the proposed approach requires significantly shorter CPU times than various general‐purpose MINLP methods and shows similar performance than the tailored parametric algorithm for solving large‐scale MILFP problems. Specifically, it performs with respect to the CPU time roughly a half of the parametric algorithm for the scheduling applications. © 2013 American Institute of Chemical Engineers AIChE J, 59: 4255–4272, 2013     

化工产品生命周期设计的理论和方法

生命周期评价(LCA)和生命周期成本分析(LCC)是实现化工产品和过程清洁生产的两大支持工具。分别介绍了生命周期评价和生命周期成本的内涵和特征,提出了产品生命周期设计(LCD)的概念和实施步骤,有助于设计人员做出正确的决策,开发出环境友好、经济节约的产品。     

Bicriteria optimization approach to analyze incorporation of biofuel and carbon capture technologies

Environmental considerations has become a central issue in the process industries. The energy sector attracts the majority of attention, since it is responsible from 83% of anthropogenic greenhouse gas emissions. Although the renewable energy technologies are surging, fossil fuels are expected to continue dominating the sector for the next decades. Therefore, it is important to analyze the performance of emerging technologies that can be integrated into existing facilities, such as biofuels and carbon capture and storage (CCS) technologies. In this article, we present a multi‐period bicriteria optimization model that represents traditional cogeneration processes and integrate biodiesel and CCS technologies. Then, the efficient set for the problem is obtained by using a novel two‐phase solution method. The results show that the modeling approach is effective in identifying the set of efficient solutions for the integration strategies of biodiesel and CCS technologies. © 2016 American Institute of Chemical Engineers AIChE J, 62: 3473–3483, 2016     

Optimization-based identification of CO2 capture and utilization processing paths for life cycle greenhouse gas reduction and economic benefits

This paper introduces a mathematical formulation to identify promising CO₂ capture and utilization (CCU) processing paths and assess their production rates by solving an optimization problem. The problem is cast as a multi-objective one by simultaneously maximizing a net profit and life cycle greenhouse gas (GHG) reduction. Three case studies are illustrated using an exemplary CCU processing network. The results indicate the optimal solution is greatly influenced by the scale of CO₂ emission source, market demand, and hydrogen availability. Moreover, with the current system of measuring the GHG reduction regarding a business-as-usual level, if the aim is to achieve a GHG reduction within a national boundary, the question of whether CCU plants producing a product of same functionality through conventional means, which the CO₂-based product can replace, exists in the country can come into consideration. This systematic identification will assist decision-making regarding future R&D investment and construction of large-scale CCU plants.     

A new superstructure optimization paradigm for process synthesis with product distribution optimization: Application to an integrated shale gas processing and chemical manufacturing process

We propose a novel process synthesis framework that combines product distribution optimization of chemical reactions and superstructure optimization of the process flowsheet. A superstructure with a set of technology/process alternatives is first developed. Next, the product distributions of the involved chemical reactions are optimized to maximize the profits of the effluent products. Extensive process simulations are then performed to collect high‐fidelity process data tailored to the optimal product distributions. Based on the simulation results, a superstructure optimization model is formulated as a mixed‐integer nonlinear program (MINLP) to determine the optimal process design. A tailored global optimization algorithm is used to efficiently solve the large‐scale nonconvex MINLP problem. The resulting optimal process design is further validated by a whole‐process simulation. The proposed framework is applied to a comprehensive superstructure of an integrated shale gas processing and chemical manufacturing process, which involves steam cracking of ethane, propane, n‐butane, and i‐butane. © 2017 American Institute of Chemical Engineers AIChE J, 63: 123–143, 2018     

Superstructure optimization of integrated fast pyrolysis‐gasification for production of liquid fuels and propylene

Motivated by the apparent advantages of fast pyrolysis and gasification, a novel integrated biorefinery plant is systematically synthesized for coproducing premium quality liquid fuels and propylene. The required heat and fluidization promotion of the fast pyrolyzer are provided by hot syngas from the gasifier. Light gas and syngas from the fast pyrolyzer are finally converted to hydrocarbons via Fischer‐Tropsch synthesis. Multiple syngas production technologies, hydrocarbon production and downstream upgrading routes are incorporated within a superstructure optimization based process synthesis framework. This is the first article to investigate the benefits associated with the introduction of conventional catalytic cracking and dewaxing from a systems engineering perspective. Surrogate models describing the gasifiers and rigorous equations for Fischer‐Tropsch effluents validated by our experimental collaborator are introduced. Through investigation of five scenarios the primary parameters affecting overall economic performance are identified through ranking of the relevant candidates. Comparisons of the hybrid conversion route and stand‐alone routes are made. © 2016 American Institute of Chemical Engineers AIChE J, 62: 3155–3176, 2016     

Multiobjective optimization under uncertainty of the economic and life‐cycle environmental performance of industrial processes

The combined use of multiobjective optimization and life‐cycle assessment (LCA) has recently emerged as a useful tool for minimizing the environmental impact of industrial processes. The main limitation of this approach is that it requires large amounts of data that are typically affected by several uncertainty sources. We propose herein a systematic framework to handle these uncertainties that takes advantage of recent advances made in modeling of uncertain LCA data and in optimization under uncertainty. Our strategy is based on a stochastic, multiobjective, and multiscenario mixed‐integer nonlinear programming approach in which the uncertain parameters are described via scenarios. We investigate the use of two stochastic metrics: (1) the environmental impact in the worst case and (2) the environmental downside risk. We demonstrate the capabilities of our approach through its application to a generic complex industrial network in which we consider the uncertainty of some key life‐cycle inventory parameters. © 2014 American Institute of Chemical Engineers AIChE J, 60: 2098–2121, 2014     

有旁路换热网络全周期节能的动态优化控制实现方法

为了实现换热网络的全周期持续节能,在网络上设置旁路从而增加其控制自由度,同时设计一定的裕量来提供优化控制的操作空间。为了较好地利用旁路调节和裕量空间,提出一种基于换热网络动态模型的在线优化控制方法,巧妙地结合原有常规控制回路,不但扩大了优化控制的可行域,并且满足原常规控制回路的精度要求。该方法以换热网络一定周期内的累积费用最小为目标函数,同时考虑扰动对换热网络的影响,在满足工艺条件的基础上,求解最佳旁路开度,以实现换热网络的持续节能。由于采用闭环校正、迭代计算和滚动优化的实施方法,始终把优化建立在实际的基础上,尽管它每次不一定能得到全局最优解,然而使得实际控制结果达到最优。最后,以某炼油厂的常减压脱盐前换热网络为具体的研究对象,说明所提方法的有效性和使用前景。     

Production of benzene,toluene, and xylenes from natural gas via methanol: Process synthesis and global optimization

A systematic global optimization‐based process synthesis framework is presented to determine the most profitable processes to produce aromatics from natural gas. Several novel, commercial, and/or competing technologies are modeled within the framework, including methanol‐to‐aromatics, toluene alkylation with methanol, selective toluene disproportionation, and toluene disproportionation and transalkylation with heavy aromatics, among others. We propose a stand‐alone chemicals facility: the main products are aromatics with allowable by‐products of gasoline, liquefied petroleum gas, and electricity. Several case studies are discussed that produce varying ratios of para‐, ortho‐, and meta‐xylene across multiple refinery capacities. The results indicate that utilizing natural gas for the production of aromatics is profitable with net present values as high as $3800 MM dollars and payback periods as low as 6 years. The required investment for these refineries represents as much as a 65% decrease compared to published estimates of similar coal‐based capacity plants. © 2016 American Institute of Chemical Engineers AIChE J, 62: 1531–1556, 2016