This work explores the technical feasibility and economic profitability of converting petroleum coke (petcoke) and natural gas to liquid fuels via Fischer-Tropsch synthesis. Different petcoke conversion strategies were examined to determine the conversion pathway which can be competitive with current market prices with little or no adverse environmental impacts. Three main design approaches were considered: petcoke gasification only, combined petcoke gasification and natural gas reforming through traditional processing steps, and combined petcoke gasification and natural gas reforming by directly integrating the gasifier’s radiant cooler with the gas reformer. The designs investigated included scenarios with and without carbon capture and sequestration, and with and without CO2 emission tax penalties. The performance metrics considered included net present value, life cycle greenhouse gas emissions, and the cost of CO2 avoided. The design configuration that integrated natural gas refor... [more]

New polygeneration processes for the co-production of liquid fuels (Fischer-Tropsch liquids, methanol, and dimethyl ether) and electricity are presented. The processes use a combination of biomass, natural gas, and nuclear energy as primary energy feeds. Chemical process models were created and used to simulate candidate versions of the process, using combinations of models ranging from complex multi- scale models to standard process flowsheet models. The simulation results are presented for an Ontario, Canada case study to obtain key metrics such as efficiency and product conversions. Sample Aspen Plus files are provided in the supplementary material to be used by others.

Artificial neural networks (ANNs) are used in various applications for data-driven black-box modeling and subsequent optimization. Herein, we present an efficient method for deterministic global optimization of ANN embedded optimization problems. The proposed method is based on relaxations of algorithms using McCormick relaxations in a reduced-space [\textit{SIOPT}, 20 (2009), pp. 573-601] including the convex and concave envelopes of the nonlinear activation function of ANNs. The optimization problem is solved using our in-house global deterministic solver MAiNGO. The performance of the proposed method is shown in four optimization examples: an illustrative function, a fermentation process, a compressor plant and a chemical process optimization. The results show that computational solution time is favorable compared to the global general-purpose optimization solver BARON.

Considering the limited turndown potential of gasification technologies, supplementing a fuel cell turbine hybrid power system with natural gas provides flexibility that could improve economic viability. The dynamic characterization of fuel composition transients is an essential first step in completing the system identification required for controls development. In this work, both open loop and closed loop transient responses of the fuel cell in a solid oxide fuel cell (SOFC) gas turbine (GT) hybrid system to fuel composition changes were experimentally investigated using a cyber-physical fuel cell system. A transition from methane lean syngas to methane rich gases with no turbine speed control was studied. The distributed performance of the fuel cell was analyzed in detail with temporal and spatial resolution across the cell.

Dramatic changes in fuel cell system post combustor thermal output or “thermal effluent” resulting from anode composition changes drove turbine transients th... [more]

In this work, a distillation system is designed to purify dimethyl ether (DME) from its reaction by-products in the conversion of flare gas into a useful energy product. The distillation equipment has a size constraint for easy transportation, making process intensification the best strategy to efficiently separate the mixture. The process intensification distillation techniques explored include the dividing wall column (DWC) and a novel semicontinuous dividing wall column (S-DWC). The DWC and the S-DWC both purify DME to fuel grade purity along with producing high purity waste streams. An economic comparison is made between the two systems. The DWC is a cheaper method of producing DME however the purity of methanol, a reaction intermediate, is not as high as the S-DWC. Overall, this research shows that it is possible to purify DME and its reaction by-products in a 40-foot distillation column at a cost that is competitive with Diesel.

In this study, a dynamic and two-dimensional model for a steam methane reforming process integrated with nuclear heat production is developed. The model is based on first principles and considers the conservation of mass, momentum and energy within the system. The model is multi-scale, considering both bulk gas effects as well as spatial differences within the catalyst particles. Very few model parameters need to be fit based on the design specifications reported in the literature. The resulting model fits the reported design conditions of two separate pilot-scale studies (ranging from 0.4 to 10 MW heat transfer duty). A sensitivity analysis indicated that disturbances in the helium feed conditions significantly affect the system, but the overall system performance only changes slightly even for the large changes in the value of the most uncertain parameters.

This work compares various chemicals for use as extractants in second-generation Acetone-Butanol-Ethanol fermentation on economic and environmental bases. Both non-toxic and toxic extractants are considered in this study. The combinative extractive-distillation separation process was modelled using a combination of Microsoft Excel 2013, MATLAB 2015 and Aspen Plus v8.8. Separation trains were designed and optimized for each extractant to best take advantage of extractant properties. Upstream units considered in this analysis include: biomass (switchgrass) solids processing, biomass pre-treatment and saccharification, and fermentation. Downstream processes considered include utility generation and wastewater treatment. The cost of CO2 equivalent emissions avoided (CCA) was used as the metric to compare the environmental impact of each process as compared to conventional petroleum-based gasoline. The economic and environmental best extractant is shown to be 2-ethyl-hexanol with a minimum... [more]

This study presents the design and analysis of a new integrated direct steam generation (DSG) concentrated solar power (CSP) plant with a decalin/naphthalene thermochemical storage system. Model simulations were performed in accordance to historical hourly solar radiation data over a year, using a combination of Aspen Plus v10, MATLAB 2016b, and Microsoft Excel VBA. It was found that the proposed plant feasibly stored and discharged energy, based on the solar radiation and chemical storage availability, to maintain base-load power productions (250 MW or 120 MW) with an overall efficiency of 14.6%. The effectiveness of the designed storage system was found to be comparable to a molten salt storage system which is currently used in existing CSP plants. The proposed integrated DSG CSP plant with a decalin/naphthalene thermochemical storage system shows promise for being an alternative to existing CSP plants.

Large-scale deployment of CO2 capture, transport, and storage (CCTS) requires the rolling-out of extensive value chains. In this study, we present the development, design, techno-economic, environmental, and regulatory analysis of four pioneering chains that capture and condition CO2 from existing European industrial plants and their multi-modal transport to selected ports in Northern Europe. The pioneering chains can avoid between 65% and 87% of the industrial emissions, including scope 3, with a cost of CO2 avoided ranging between 100 and 300 euro/tCO2. The economic and environmental performance of the CCTS chains are substantially affected by the geographic location of the industrial emitters and the CO2 volumes to be transported. The analysis relies on the assumption that the four industrial plants would be early movers. While, in the future, technology maturation and infrastructure development are expected to reduce costs and emissions associated with the CCTS chain, this study q... [more]