An integrated dimensionality reduction and surrogate optimization approach for plant-wide chemical process operation

With liquefied natural gas becoming increasingly prevalent as a flexible source of energy, the design and optimization of industrial refrigeration cycles becomes even more important. In this article, we propose an integrated surrogate modeling and optimization framework to model and optimize the complex CryoMan Cascade refrigeration cycle. Dimensionality reduction techniques are used to reduce the large number of process decision variables which are subsequently supplied to an array of Gaussian processes, modeling both the process objective as well as feasibility constraints. Through iterative resampling of the rigorous model, this data-driven surrogate is continually refined and subsequently optimized. This approach was not only able to improve on the results of directly optimizing the process flow sheet but also located the set of optimal operating conditions in only 2 h as opposed to the original 3 weeks, facilitating its use in the operational optimization and enhanced process design of large-scale industrial chemical systems.     

Hydrogen production by supercritical water gasification of lignin over CuO–ZnO catalyst synthesized with different methods

In this study, lignin was gasified in supercritical water with catalysis of CuO–ZnO synthesized by deposition precipitation, co-precipitation and sol-gel methods. Sol-gel synthesized CuO–ZnO showed the highest catalytic performance, and the gasification efficiency was increased by 37.92% with it. The XRD, SEM-EDS and N₂ adsorption/desorption analysis showed that the priority of the sol-gel catalyst was the smallest crystallite size, largest specific surface area and high dispersion. For sol-gel synthesized CuO–ZnO, the increase of CuO/ZnO ratio improved the gasification efficiency but reduced H₂ selectivity. And the catalytic activity was reduced with the calcination temperature above 600 °C due to enlarged crystallites and reduced pores. During sol-gel preparation, both the addition of ethanol and PEG in the solvent reduced the agglomeration and improved the catalytic activity. With CuO–ZnO prepared with 1 g PEG + water as the solvent, the highest H₂ yield of 6.86 mol/kg was obtained, which was over 1.5 times of that without catalyst.     

Hydrogen supply scenarios for a climate neutral energy system in Germany

A climate neutral energy system in Germany will most likely require green hydrogen. Two important factors, that determine whether the hydrogen will be imported or produced locally from renewable energy are still uncertain though - the import price for green hydrogen and the upper limit for photovoltaic installations. To investigate the impact of these two factors, the authors calculate cost optimized climate neutral energy systems while varying the import price from 1.25 €/kg to 5 €/kg with unlimited import volume and the photovoltaic limit from 300 GW to unlimited. In all scenarios, hydrogen plays a significant role. At a medium import price of 3.75 €/kg and photovoltaic limits of 300–900 GW the hydrogen supply is around 1200 to 1300 TWh with import shares varying from 60 to 85%. In most scenarios the electrolysis profile is highly correlated with the photovoltaic power, which leads to full load hours of 1870 h–2770 h.     

Hybrid hydrate processes for CO2/H2 mixture purification: A techno-economic analysis

In this work, hydrate based separation technique was combined with membrane separation and amine-absorption separation technologies to design hybrid processes for separation of CO₂/H₂ mixture. Hybrid processes are designed in the presence of different types of hydrate promoters. The conceptual processes have been developed using Aspen HYSYS. Proposed processes were simulated at different flow rates for the feed stream. A comprehensive cost model was developed for economic analysis of novel processes proposed in this study. Based on the results from process simulation and equipment sizing, the amount of total energy consumption, fixed cost, variable cost, and total cost were calculated per unit weight of captured CO₂ for various flow rates of feed stream and in the presence of different hydrate promoters. Results showed that combination of hydrate formation separation technique with membrane separation technology results in a CO₂ capture process with lowest energy consumption and total cost per unit weight of captured CO₂. As split fraction and heat of hydrate formation increases, the share of hydrate formation section in total energy consumption increases. When TBAB is applied as hydrate promoter, due to its higher hydrate separation efficiency, more amount of CO₂ is captured in hydrate formation section and consequently the total cost for process decreases considerably. Hybrid hydrate-membrane process in the presence of TBAB as hydrate promoter with 29.47 US$/ton CO₂ total cost is the best scheme for hybrid hydrate CO₂ capture process. Total cost for this process is lower than total cost for single MDEA-based absorption process as the mature technology for CO₂ capture.     

Cladophora sp. as a sustainable feedstock for dark fermentative biohydrogen production

Macroalgae are rich in carbohydrates which can be used as a promising substrate for fermentative biohydrogen production. In this study, Cladophora sp. biomass was fermented for biohydrogen production at various inoculum/substrate (I/S) ratios against a control of inoculum without substrate in laboratory-scale batch reactors. The biohydrogen production yield ranged from 40.8 to 54.7 ml H₂/g-VS, with the I/S ratio ranging from 0.0625 to 4. The results indicated that low I/S ratios caused the overloaded accumulation of metabolic products and a significant pH decrease, which negatively affected hydrogen production bacteria's metabolic activity, thus leading to the decrease of hydrogen fermentation efficiency. The overall results demonstrated that Cladophora sp. biomass is an efficient fermentation feedstock for biohydrogen production.     

Trade-off study between risk and benefit in safety devices for hydrogen refueling stations using a dynamic physical model

As hydrogen refueling stations become increasingly common, it is clear that a high level of economic efficiency and safety is crucial to promoting their use. One way to reduce costs is to use a simple orifice instead of an excess flow valve, which Japanese safety regulations have identified as a safety device. However, there is concern about its effect on refueling time and on risk due to hydrogen leakage. To clarify the effect, we did a study of model-based refueling time evaluation and quantitative risk assessment for a typical refueling station. This study showed that an orifice is an effective alternative safety device. The increase in refueling time was less than 10%, based on simulations using a dynamic physical model of the station. Neither was there a significant difference in the risk between a configuration with excess flow valves and one with an orifice.     

An economic investigation of the wind-hydrogen projects: A case study

Hydrogen as an energy carrier can play a significant role in reducing environmental emissions if it is produced from renewable energy resources. This research aims to assess hydrogen production from wind energy considering environmental, economic, and technical aspect for the East Azerbaijan province of Iran. The economic assessment is performed by calculation of payback period, levelized cost of hydrogen, and levelized cost of electricity. Since uncertainty in the power output of wind turbines may affect the payback period, all calculations are performed for four different turbine degradation rates. While it is common in the literature to choose the wind turbine based on a single criterion, this study implements Multi-Criteria Decision-Making (MCDM) techniques for this purpose. The results of Step-wise Weight Assessment Ratio Analysis illustrates that economic issue is the most important criterion for this research. The results of Weighted Aggregated Sum Product Assessment shows that Vestas V52 is the most suitable wind turbine for Ahar and Sarab cities, while Eovent EVA120 H-Darrieus is a better choice for other stations. The most suitable location for wind power generation is found to be Ahar, where it is estimated to annually generate 2914.8 kWh of electricity at the price of 0.045 $/kWh, and 47.2 tons of hydrogen at the price of 1.38 $/kg, which result in 583 tons of CO₂ emission reduction.     

Topology optimization of flexure hinges with a prescribed compliance matrix based on the adaptive spring model and stress constraint

This paper focuses on the configuration design of flexure hinges with a prescribed compliance matrix and preset rotational center position. A new method for the topology optimization of flexure hinges is proposed based on the adaptive spring model and stress constraint. The hinge optimization model is formulated by maximizing the bending displacement with a spring while optimizing the compliance matrix to a prescribed value. To avoid numerical instability, an artificial spring is used as an auxiliary calculation, and a new strategy is developed for adaptively adjusting the spring stiffness according to the prescribed compliance matrix. The maximum stress of flexure hinge is limited by using a normalized P-norm of the effective von Mises stress, and a position constraint of rotational center is proposed to predetermine the position of the rotational center. In addition, to reduce the error of the stress measurement, a simple but effective filtering method is presented to obtain a complete black-and-white design. Numerical examples are used to verify the proposed method. Topology results show that the obtained flexure hinges have the prescribed compliance matrix and preset rotational center position while also meeting the stress requirements.     

Thermo-economic investigation on the hydrogen production through the stored solar energy in a salinity gradient solar pond: A comparative study by employing APC and ORC with zeotropic mixture

In this paper, a salinity gradient solar pond (SGSP) is used to harness the solar energy for hydrogen production through two cycles. The first cycle includes an absorption power cycle (APC), a proton exchange membrane (PEM) electrolyzer, and a thermoelectric generator (TEG) unit; in the second one, an organic Rankine cycle (ORC) with the zeotropic mixture is used instead of APC. The cycles are analyzed through the thermoeconomic vantage point to discover the effect of key decision variables on the cycles’ performance. Finally, NSGA-II is used to optimize both cycles. The results indicate that employing ORC with zeotropic mixture leads to a better performance in comparison to utilizing APC. For the base mode, unit cost product (UCP), exergy, and energy efficiency when APC is employed are 59.9 $/GJ, 23.73%, and 3.84%, respectively. These amounts are 47.27 $/GJ, 29.48%, and 5.86% if ORC with the zeotropic mixture is utilized. The APC and ORC generators have the highest exergy destruction rate which is equal to 6.18 and 10.91 kW. In both cycles, the highest investment cost is related to the turbine and is 0.8275 $/h and 0.976 $/h for the first and second cycles, respectively. In the optimum state the energy efficiency, exergy efficiency, UCP, and H₂ production rate of the system enhances 42.44%, 27.54%,15.95%, and 38.24% when ORC with the zeotropic mixture is used. The maximum H₂ production is 0.47 kg/h, and is obtained when the mass fraction of R142b, LCZ temperature, pumps pressure ratio, generator bubble point temperature are 0.603, 364.35 K, 2.12, 337.67 K, respectively.     

Nitrogen-doped cobalt sulfide as an efficient electrocatalyst for hydrogen evolution reaction in alkaline and acidic media

The enhancement in intrinsic catalytic activity and material conductivity of an electrocatalyst can leads to promoting HER activity. Herein, a successful nitrogenation of CoS₂ (N–CoS₂) catalyst has been investigated through the facile hydrothermal process followed by N₂ annealing treatment. An optimized N–CoS₂ catalyst reveals an outstanding hydrogen evolution reaction (HER) performance in alkaline as well as acidic electrolyte media, exhibiting an infinitesimal overpotential of ?0.137 and ?0.097 V at a current density of ?10 mA/cm² (?0.309 and ?0.275 V at ?300 mA/cm²), corresponding respectively, with a modest Tafel slope of 117 and 101 mV/dec. Moreover, a static voltage response was observed at low and high current rates (?10 to ?100 mA/cm²) along with an excellent endurance up to 50 h even at ?100 mA/cm². The excellent catalytic HER performance is ascribed to improved electronic conductivity and enhanced electrochemically active sites, which is aroused from the synergy and mutual interaction between heteroatoms that might have varied the surface chemistry of an active catalyst.