Hydrogen Energy Infrastructure Research Articles

Epitaxial Metal-Organic Framework-Mediated Electron Relay for H2 Detection on Demand.

Hydrogen is regarded as one of the most promising clean substitutes for fossil fuels toward a carbon-zero society. However, the safety management of the upcoming hydrogen energy infrastructure has not been fully prepared, in contrast to the well-established natural gas and gasoline systems. On the frontline is the guard post of hydrogen detectors, which need to be deployed on various structural surfaces and environmental conditions. Conventional hydrogen detectors are usually bulky and environmentally sensitive, limiting their flexible and conformal deployment to various locations, such as pipelines and valves. Herein, we demonstrate the successful synthesis of a palladium-modified epitaxial metal-organic framework (MOF) on single-layer graphene to fabricate a heterostructure material (Epi-MOF-Pd). Device based on the heterostructure demonstrates high sensitivity toward low- concentration H2 (155% resistance response to 1% H2 within 12 s, a theoretical detection limit of 3 ppm). The 25 nm epitaxial MOF acquires electrons from the Pd nanoparticles after the trace amount of H2 is chemically adsorbed and further relays the electrons to the highly conductive graphene. The Epi-MOF-Pd is both flexible and enduring, and maintains stable detection over 10 000 bending cycles. Through photolithography, device arrays with a density of 3000 units/cm2 are successfully fabricated. This versatile material provides a prospective avenue for the mass production of high-performance chemical-sensitive electronics, which could significantly improve the hydrogen safety management on demand.

Hydrogen refueling station location optimization under uncertainty

Hydrogen refueling stations (HRS) are essential for the growth of the hydrogen energy and fuel cell vehicle industry, making the strategic decision of their location and scale critical. This study advances the HRS location optimization problem by integrating network planning and hydrogen scheduling optimization, a novel approach that addresses both where and how big HRSs should be, alongside managing supply relations and hydrogen transportation scheduling. Uniquely, it incorporates uncertainty factors in hydrogen demand, using a two-stage multi-period stochastic programming model designed to minimize both construction and operational costs under variable demand scenarios, while also ensuring customer satisfaction. Our main contributions include the development of this comprehensive model and the introduction of an efficient metaheuristic algorithm to solve it, significantly enhancing computational efficiency. The effectiveness of our approach is demonstrated through numerical experiments, and a sensitivity analysis provides crucial insights, underlining the practical implications for HRS infrastructure development. The findings not only offer a methodological advancement in HRS location selection but also deliver tangible results that can guide industry stakeholders in strategic decision-making, marking a significant step forward in the sustainable development of hydrogen energy infrastructure.

ЗАБЕЗПЕЧЕННЯ СТАЛОГО РОЗВИТКУ НА БАЗІ АНАЛІЗУ ТА ОЦІНКИ ХАРАКТЕРИСТИК ШАХТНИХ ВОД ЯК ДЖЕРЕЛ ВОДОПОСТАЧАННЯ ТА ОТРИМАННЯ ЦІННИХ РЕЧОВИН З ВІДХОДІВ ОПРІСНЕННЯ

Purpose. Rationale for the integrated use of the resource potential of coal-mining enterprises, which is aimed at obtaining technical and drinking water for their own production needs, local population and obtaining valuable substances from desalination waste. Methodology. Analysis of world experience, information about aquifer complexes in the Western Donbas mines, conducting chemical analyses of mine waters and salt mixtures obtained after using reverse osmosis products. Results. Based on the accumulated world experience in desalination of highly mineralized waters, it can be concluded that it is possible to effectively implement this experience at mining enterprises. Description of aquifer complexes has been given in detail using the example of the Zakhidno-Donbaska Mine of PJSC “DTEK Pavlohradvuhillia”, chemical analyses of water before and after discharge into settling ponds. A rational technological scheme for desalination, volumes of purified water obtained for drinking and technical water supply, as well as the quantitative and qualitative composition of the dry residue components of mine water desalination waste, and recommendations on possible use of products on the market have been determined. Scientific novelty. Analytical and laboratory studies have been conducted to determine the component composition of mine water desalination waste from Western Donbas coal-mining enterprises. It has been determined that the resulting salt product is a mixture of pure salts and valuable microcomponents, and the resulting distillate is fuel for the operation of hydrogen electrolyzers, which creates prerequisites for modern “green” hydrogen energy infrastructure. Practical significance. The qualitative and quantitative mine water parameters on complex use as an alternative source of water supply and obtaining related reverse osmosis products have been analyzed. The road services propose the consumption of the resulting salt products by municipal enterprises, and the dry distillation residue – to prevent dust. This approach allows solving not only the problem of desalination waste utilization, but also applying the separated valuable substances in the industrial market of food, medical, cosmetic, paint and varnish, chemical, as well as building materials, plastics and polymers production industries. Keywords: mine water, waste recycling, mineral resource, coal-mining enterprises.

A review on hazards and risks to pipeline operation under transporting hydrogen energy and hydrogen-mixed natural gas

As an efficient and clean fuel, hydrogen energy plays an important role in relieving the energy crisis and achieving the orientation of zero carbon emissions. Transportation is the key link in the construction of hydrogen energy infrastructure. For large-scale and long-distance transportation of hydrogen, pipeline transportation has the advantages of high efficiency and cost saving. While using the existing natural gas pipeline to transport hydrogen, it would economize the economic cost, time cost and labor cost. However, the transportation of hydrogen may bring more hazards and risks. Based on the investigation of a large number of literatures, the research advance in hydrogen embrittlement, leakage, combustion and explosion risk of hydrogen and hydrogen-mixed natural gas pipelines was reviewed. The mechanism, research means and evaluation methods of hydrogen embrittlement, as well as the experimental and numerical simulation research results of leakage, combustion and explosion were discussed in detail. The definite and important conclusions include: (1) For buried hydrogen-mixed natural gas transportation pipeline, the leakage rate of hydrogen and methane is the same, the formation of the leakage crater is foreign to the nature of leakage gas. (2) When adding less than 25 volume percentage of hydrogen into the natural gas pipelines, the explosion risk would not be increased. Future research should focus on the risk prediction, quantitative risk assessment, intelligent monitoring, and explosion-suppression technical measures of hydrogen and hydrogen-mixed natural gas transportation pipelines, so as to establish comprehensive and multi-level pipeline safety protection barriers.

The hydrogen perspective for Türkiye, which is on the Asia-Europe energy transition route. Can Türkiye become hydrogen hub?

This study examines the potential for hydrogen to undertake a leading role in the transition to sustainable energy in Türkiye. Türkiye, with its well-established energy infrastructure and increasing focus on renewable energy, has the potential to undertake a significant part in the worldwide hydrogen market. The research uses a multi-level perspective to analyse the interactions between different region connected with Türkiye, and the processes and strategies within the national energy system. The findings suggest that hydrogen production and transport in Türkiye has the potential to significantly contribute to the decarbonization of the industry and flexibility services in Asia, Europe and Africa. However, the ongoing advancement in the field of hydrogen in Türkiye is at a critical juncture where coordinated efforts are necessary to fully realize its potential. Türkiye recently announced the Hydrogen Technologies Strategy and Roadmap. Under the new Hydrogen Technologies Strategy and Roadmap, Türkiye plans to significantly increase the production of hydrogen. Türkiye plans to significantly increase its installed electrolyser capacity to support the production of hydrogen. Specifically, the plan aims to increase the installed capacity to 2 GW by 2030, 5 GW by 2035, and 70 GW by 2050. Turkey's strategic investments and policy adjustments could propel its green hydrogen production to 3.4 million tons yearly by 2050. With an anticipated domestic demand for hydrogen at 1.9 million tons annually, Turkey could potentially export between 1.5 and 1.9 million tons yearly by 2050. Türkiye boasts an extensive network of transmission and distribution pipelines for natural gas, totalling 10,000 km, including those with large diameters. The existing pipelines could transport hydrogen in its pure form or blended with natural gas. The natural gas pipeline capacity in Turkey stands at 32 billion cubic meters. This infrastructure enables the transportation of an estimated 575 million tons of hydrogen yearly to neighboring countries by employing a mix of 20 % hydrogen and natural gas. With an extensive network of natural gas transmission and distribution pipelines, Turkey positions itself as an integral part of the interconnected hydrogen energy infrastructure, linking the nation with Europe and neighboring regions. The results of this study present new approaches into the dynamics of the energy system and contribute to ongoing discussions about transition routes and consider the current status of hydrogen in Türkiye, the country's renewable energy potential, the policy and regulatory framework, and the infrastructure and market conditions necessary in order to foster the growth of a hydrogen hub.

A comprehensive resilience assessment framework for hydrogen energy infrastructure development

In recent years, sustainable development has become a challenge for many societies due to natural or other disruptive events, which have disrupted economic, environmental, and energy infrastructure growth. Developing hydrogen energy infrastructure is crucial for sustainable development because of its numerous benefits over conventional energy sources. However, the complexity of hydrogen energy infrastructure, including production, utilization, and storage stages, requires accounting for potential vulnerabilities. Therefore, resilience needs to be considered along with sustainable development. This paper proposes a decision-making framework to evaluate the resilience of hydrogen energy infrastructure by integrating resilience indicators and sustainability contributing factors. A holistic taxonomy of resilience performance is first developed, followed by a qualitative resilience assessment framework using a novel Intuitionistic fuzzy Weighted Influence Nonlinear Gauge System (IFWINGS). The results highlighted that Regulation and legislation, Government preparation, and Crisis response budget are the most critical resilience indicators in the understudy hydrogen energy infrastructure. A comparative case study demonstrates the practicality, capability, and effectiveness of the proposed approach. The results suggest that the proposed model can be used for resilience assessment in other areas.

The Hydrogen Energy Infrastructure Location Selection Model: A Hybrid Fuzzy Decision-Making Approach

Actively responding to climate change and accelerating the realization of carbon emission reduction are the common goals of global sustainable development. Hydrogen energy, as a “zero carbon emission” secondary energy, is playing an increasingly important role on the world energy stage. Hydrogen energy infrastructure (focusing on hydrogen refueling stations) is a key infrastructure in the transition to a hydrogen economy. However, the indicators that influence the location selection of hydrogen refueling stations (HRSs) are specific and have complex relationships, and current research still lacks a comprehensive analysis of its location selection decision-making indicators. Based on this research gap, this study proposes a hybrid fuzzy decision-making approach to determine the relationship and degree of influence between indicators. Firstly, this study identified 18 decision indicators that influence location selection from four dimensions: policy, economy, society, and environment. Subsequently, semi-structured interviews were used to initially assess the relationship between indicators. Finally, by using interpretive structural modeling and the fuzzy decision-making trial and evaluation laboratory (ISM-FDEMATEL), a 7-level structural model is established, which clarifies the complex relationship between indicators and the individual attributes of each indicator. The research results show that the indicators of the policy dimension have a more significant influencing degree than the other three dimensions and have a greater influence on the entire indicator system; the indicators of the economic dimension have a higher influencing degree and are easily influenced by other indicators. These findings will benefit policymakers and practitioners to prioritize and manage their resources effectively and efficiently and provide a valuable reference for advancing the sustainable development of the infrastructure for hydrogen energy.

Engineering Single-Atom Electrocatalysts for Enhancing Kinetics of Acidic Volmer Reaction.

The design of active and low-cost electrocatalyst for hydrogen evolution reaction (HER) is the key to achieving a clean hydrogen energy infrastructure. The most successful design principle of hydrogen electrocatalyst is the activity volcano plot, which is based on Sabatier principle and has been used to understand the exceptional activity of noble metal and design of metal alloy catalysts. However, this application of volcano plot in designing single-atom electrocatalysts (SAEs) on nitrogen doped graphene (TM/N4C catalysts) for HER has been less successful due to the nonmetallic nature of the single metal atom site. Herein, by performing ab initio molecular dynamics simulations and free energy calculations on a series of SAEs systems (TM/N4C with TM = 3d, 4d, or 5d metals), we find that the strong charge-dipole interaction between the negatively charged *H intermediate and the interfacial H2O molecules could alter the transition path of the acidic Volmer reaction and dramatically raise its kinetic barrier, despite its favorable adsorption free energy. Such kinetic hindrance is also experimentally confirmed by electrochemical measurements. By combining the hydrogen adsorption free energy and the physics of competing interfacial interactions, we propose a unifying design principle for engineering the SAEs used for hydrogen energy conversion, which incorporates both thermodynamic and kinetic considerations and allows going beyond the activity volcano model.

A theoretical study on the hydrogen filling process of the on-board storage cylinder in hydrogen refueling station

With the development of the hydrogen fuel automobile industry, higher requirements are put forward for the construction of hydrogen energy infrastructure, the matching of parameters and the control strategy of hydrogen filling rate in the hydrogen charging process of hydrogen refueling stations. At present, the technological difficulty of hydrogen fueling is mainly reflected in the balanced treatment of reducing the temperature rise of hydrogen and shortening the filling time during the fast filling process. Vehicle hydrogen storage cylinder (VHSC) is one of the important components of hydrogen fuel cell vehicles. This study proposed a theoretical model for calculating the temperature rise in the VHSC during the high pressure refueling process, and revealed the hydrogen temperature rise during refueling. A hydrogen temperature rise prediction model was constructed to elucidate the relationship between filling parameters and temperature rise. The filling process of VHSC was analyzed from the theoretical method. The theoretical analysis results were consistent with the simulation and experimental analysis results, which provided a theoretical basis for the current hydrogen temperature control algorithm of the gas source in the hydrogen refueling station, and then reduced the energy consumption required for hydrogen cooling in the hydrogen refueling station.

Technological Support for Evaluation of Hydrogen Compatibility of Materials in Laboratory Conditions

Materials selection for hydrogen service is needed to support the deployment of hydrogen as a fuel as well as the development of codes and standards for stationary hydrogen use, hydrogen vehicles, refueling stations, and hydrogen transportation. Hydrogen energy infrastructure is currently in the process of development and in preparation for mass transportation of hydrogen gas and methane-hydrogen media involves significant use of the existing network of gas pipelines and formation of a network of hydrogen pipelines. Materials property measurement is needed on deformation, fracture and fatigue in hydrogen-containing media. Determination of steel properties such as strength, crack and fatigue resistance are priority to ensure safe design of pipelines transporting hydrogen gas or methane-hydrogen mixture. At the same time, there is a problem in technological support for evaluation of hydrogen compatibility of materials in laboratory conditions for evaluation of hydrogen embrittlement, depending on hydrogen concentration, methods and modes of loading, temperature, pressure and actual properties of materials.

A study on the Joule-Thomson effect of during filling hydrogen in high pressure tank

With the development of the hydrogen fuel cell automobile industry, higher requirements are put forward for the construction of hydrogen energy infrastructure, the matching of parameters and the control strategy of hydrogen filling rate in the hydrogenation process of hydrogenation station. Fuel for hydrogen fuel cell vehicles comes from hydrogen refueling stations. At present, the technological difficulty of hydrogenation is mainly reflected in the balanced treatment of reducing the temperature rise of hydrogen and shortening the filling time during the fast filling process. The Joule-Thomson (JT) effect occurs when high-pressure hydrogen gas passes through the valve assembly, which may lead to an increase in hydrogen temperature. The JT effect is generally reflected by the JT coefficient. According to the high pressure hydrogen in the pressure reducing valve, the corresponding JT coefficients were calculated by using the VDW equation, RK equation, SRK equation and PR equation, and the expression of JT effect temperature rise was deduced, which revealed the hydrogen temperature variation law in the process of reducing pressure. Make clear the relationship between charging parameters and temperature rise in the process of decompression; the flow and thermal characteristics of hydrogen in the process of decompression are revealed. This study provides basic support for experts to achieve throttling optimization of related pressure control system in hydrogen industry.

Key challenges for the development of the hydrogen industry in the Russian Federation

The Russian Federation is one of the five largest emitters of carbon dioxide. The carbon intensity of the Russian economy is one of the highest in the world. The development of the hydrogen industry in Russia is of crucial importance because it will allow reducing the carbon footprint of the economy, reducing the impact on the environment and reaching a new level of the fuel production basis and energy complex of the country. The paper presents the development prospects of hydrogen technologies in the Russian Federation, identifies the features of resource constraints in the H2 production and aspects of H2 transportation. Several hydrogen technologies of highest priority are identified, and technological barriers that must be overcome for their wide dissemination are described. Advanced solutions developed by Russian scientific, educational and industrial organizations for hydrogen energy infrastructure are presented. Special attention is paid to the standardization aspects of hydrogen technologies and the educational issues for the hydrogen industry development in the Russian Federation. The actions/targets set by Russian Federation are highlighted in the framework of Sustainable Development Goals system introduced by United Nations.

The charge transport double-channel structure facilitating Fe5Ni4S8/Ni3S2 nanoarray for efficient and stable overall water splitting

Overall water splitting technology is critical for the future of a clean and sustainable hydrogen energy infrastructure. Ni3S2 (NS) is considered a good performing oxygen evolution reaction (OER) catalyst, but exhibits unsatisfactory hydrogen evolution reaction (HER) activity. In this study, Fe5Ni4S8 (FNS) material was incorporated into an NS nanoarray, generating a low-cost, efficient, and stable bifunctional FNS/NS heterostructure for electrolyzed water catalysts. The hydrophilicity of pretreated FNS was quite high, whereas the stepped rod-shaped NS structure had a large number of radial active sites. Additionally, the high-conductivity of FNS and nickel foam (NF) provided a double-channel structure for rapid internal charge transfer. The interconnecting a network of FNS, rod-shaped NS nanoarray, and NF substrate enabled one to accomplish a synergistic effect of enhanced kinetics and activity of OER, HER, and overall water splitting. To achieve a current density of 10 mA cm−2 in 1.0 M KOH solution, only overpotentials of 248 and 94 mV were required. Moreover, the voltage of the constructed FNS/NS||FNS/NS double-electrode battery system was only 1.64 V@10 mA cm−2, but the battery could have run for at least 120 h at an industrial current density of 500 mA cm−2. Therefore, this study offers a rational design of heterostructures as bifunctional electrocatalysts for overall water splitting.

High-pressure hydrogen decompression in sulfur crosslinked elastomers

High-pressure storage and cyclic (de)pressurization of hydrogen gas is known to result in degradation and failure of gas canisters, hoses, linings, and O-rings as the relatively small hydrogen molecule can readily permeate most materials. Hence, identifying material compositions that are less susceptible to hydrogen-induced damage is of significant importance to the hydrogen energy infrastructure. Here, we use classical atomistic molecular dynamics simulations to study hydrogen exposed ethylene-propylene-diene monomer (EPDM) rubber, an elastomer typically used in O-rings. We make chemical modifications to the model by adjusting the crosslink density and report on gas solubility, diffusivity, and molecular restructuring in response to rapid decompression. Our simulations indicate that increases in crosslink density can reduce volumetric expansion during decompression and result in smaller free volume pore sizes. However, these favorable properties for sealing materials come with a tradeoff. At pressure, crosslinks introduce extra free volume, providing potential sites for gas localization, the precursor to cavitation-induced failure.

Пожаровзрывобезопасность объектов водородной энергетики

Due to the high fire and explosion hazard of hydrogen, ensuring the safety of hydrogen energy infrastructure facilities is a very important task. The scientific basis for the development of the normative documents on fire and explosion hazard of hydrogen energy facilities was laid out in the studies of Russian and foreign researchers. This article analyzes Russian normative documents in the field under consideration. The most important among them is the Concept for the development of hydrogen energy in the Russian Federation, aimed at the production, storage, transportation, and use of hydrogen. This document defines the goals, problems, strategic initiatives, and key measures for the development of hydrogen energy with the main guidelines for the future until 2050. One of the main goals of hydrogen energy development is to combat climatic changes caused by using fossil fuels and conditioned by the greenhouse gas emissions. However, it is concluded that the Russian regulatory framework is insufficient for the development of hydrogen energy. NFPA 2 standard is considered as a normative document containing safety requirements to the installations for the production, storage, transportation, and use of hydrogen in the gaseous and liquid phase. It contains both general and specific requirements for infrastructure facilities, such as: filling stations; hydrogen storage in the gaseous and liquid phase, as well as using metal hydrides; facilities for producing hydrogen and energy using hydrogen; technological equipment containing hydrogen; laboratory premises; parking lots for cars using hydrogen as fuel, etc. Many of these requirements can be used to create a Russian regulatory framework for hydrogen energy.

Hydrogen Energy: a New Dimension for the Energy Cooperation in the Northeast Asian Region

The Northeast Asian Region is a home for the major world’s energy importers and Russia – the top energy exporter. Due to the depletion of national fossil energy resources, the industrialised East Asian economies are facing serious energy security issues. The snapshot of the intraregional energy trade in 2019 was analysed in terms of development potential. Japan, Korea and China are at the frontline of hydrogen energy technologies commercialisation and hydrogen energy infrastructure development. The drivers for such endeavours are listed and national institutions for hydrogen energy development are characterised. The priorities related to regional cooperation on hydrogen energy in Northeast Asia were derived on the basis of hydrogen production cost estimations. These priorities include steady development of international natural gas and power infrastructure. The shared process will lead to the synergy of regional fossil and renewable resources within combined power and hydrogen infrastructure.

Regulation of electron-hole recombination kinetics on uniform metal-semiconductor nanostructures for photocatalytic hydrogen evolution

Photocatalytic hydrogen evolution has garnered considerable attention as a potential technology for the conversion of solar energy to chemical energy to replace fossil fuels with the development of hydrogen energy infrastructure. Semiconductors have been intensively studied as photocatalysts due to their tunable bandgap, eco-friendly reaction mechanism, photochemical stability, and ease of reusability. To achieve highly efficient photocatalysts, regulation of exctions, which are photoinduced electrons and holes in photocatalysts, is necessary. Semiconductor nanoparticles have been applied in this purpose because of their confined exciton pathways and differentiated catalytic characteristics depending on their size, shape, and morphology. In addition, metal cocatalysts have been decorated with semiconductor nanoparticles because the metal cocatalyst not only provides efficient shuttling of photoinduced electrons and proper reaction sites for the hydrogen evolution but also controls exciton pathways via fast electron transfer kinetics from semiconductor to metal. This research update reviews recent advances in representative metal-semiconductor hybrid nanostructures of core-shell and tipped nanorods for photocatalysts with a focus on the exciton pathways. The metal at semiconductor core-shell nanostructures has shown extraordinary photocatalytic stability via passivation of the metal by a semiconductor. In photocatalytic hydrogen evolution, the semiconductor shell hinders electron transfer to water. Hence, various core-shell related metal-semiconductor nanostructures such as yolk-shell, core-island shell, and double shell hollow structures have been proposed in efforts to overcome the electron transfer barrier to water. Metal tipped nanorods are another versatile nanostructure to control and monitor exciton pathways. The correlation between exciton pathways and photocatalytic efficiencies was demonstrated by monitoring metal tipped semiconductor nanorods with different composition, morphology, and surface structure. The insights reported here suggest a rational and versatile design strategy of metal-semiconductor hybrid nanostructures for developing highly efficient photocatalysts for hydrogen evolution.

The Hydrogen Energy Infrastructure Development in Japan

The actual start of the full-scale hydrogen energy infrastructure operations is scheduled to 2020 in Japan. The scope of factors and policy for the hydrogen infrastructure development in Japan is made. The paper provides observation for the major undergoing and already done projects for each link within hydrogen infrastructure chain – from production to end-user applications. Implications for the Russian energy policy are provided.

Hydrogen station siting optimization based on multi-source hydrogen supply and life cycle cost

Hydrogen station siting plays an important role in hydrogen-energy infrastructure construction, and it's different from gas station siting. A gas station has a unitary way of fuel transport and a unitary fuel supplier, hence no consideration given to factors like fuel supplier and way of fuel transport at the time of siting it. However, hydrogen for a hydrogen fueling station can be supplied jointly from a couple of different sources nearby. Since there is a diversity of hydrogen price and productivity between different sources, hydrogen fueling station siting also entails consideration of the effect of the proportions of hydrogen supplied by the sources on hydrogen's life cycle cost. With the purpose of minimizing hydrogen's life cycle cost, this paper creates a mathematical model for station siting, largely for the case that each station can get hydrogen supply from combined multiple sources, and considers the effect of geographical information factors on station siting. The effect of geographical information factors on such siting is described herein in two cases to avoid selecting a must-not-build location and rebuilding into a gasoline-hydrogen fueling station at an existing gas station location. The latter can reduce station construction and operating costs. By creating a particle swarm optimization (PSO) example for station siting with Shanghai-Nanjing Expressway and constructing a position particle swarm in the form of 5D vector in order to optimize 5 station locations at the same time as well a weight particle swarm in the form of 2D matrix in order to optimize the multi-source hydrogen supply programs, the paper works out optimal station construction locations on condition of multi-source hydrogen supply, multi-source hydrogen supply programs, ways of storage and transport and corresponding hydrogen's optimal life cycle cost.

글리세롤로부터 수증기 개질에 의한 수소 생산공정의 모델링, 시뮬레이션 및 최적화

본 연구에서는 바이오디젤 생산의 부산물인 글리세롤로부터 수증기 개질(Steam Reforming, SR) 반응을 통해 수소를 생산하는 공정의 모델링과 모사 및 최적화를 수행했다. 글리세롤을 이용한 수소 생산 방법은 기존의 수소 생산방법인 메탄의 수증기 개질법(Steam Methane Reforming, SMR)을 대체할 수 있는 새로운 방법으로 세계 여러 곳에서 연구가 진행 중이다. 글리세롤과 수증기의 기체 혼합물을 고온의 반응기 내에서 개질시켜 합성가스(CO, <TEX>$H_2$</TEX>)를 생산하고, 합성가스에 포함된 일산화탄소를 수성 가스 전화 반응(Water-Gas Shift, WGS)을 통해 수증기와 반응시켜 수소를 생성하고, 최종적으로 Pressure Swing Adsorption (PSA) 공정을 통하여 이산화탄소와 수소를 분리하여 정제된 수소를 얻는다. 공정시뮬레이션 프로그램인 UniSim을 이용하여 시뮬레이션을 진행하였으며, 열효율 개선을 실시하여 운전 비용을 절감하고자 하였다. 기존 연구인 미국 DOE와 독일 Linde의 글리세롤 이용 수소 생산공정과 수율 비교를 진행하였고, 수소 에너지 인프라 구축에 기여하기 위한 최적의 생산방법을 제안하였다. For improved sustainability of the biorefinery industry, biorefinery-byproduct glycerol is being investigated as an alternate source for hydrogen production. This research designs and optimizes a hydrogen-production process for small hydrogen stations using steam reforming of purified glycerol as the main reaction, replacing existing processes relying on steam methane reforming. Modeling, simulation and optimization using a commercial process simulator are performed for the proposed hydrogen production process from glycerol. The mixture of glycerol and steam are used for making syngas in the reforming process. Then hydrogen are produced from carbon monoxide and steam through the water-gas shift reaction. Finally, hydrogen is separated from carbon dioxide using PSA. This study shows higher yield than former U.S. DOE and Linde studies. Economic evaluations are performed for optimal planning of constructing domestic hydrogen energy infrastructure based on the proposed glycerol-based hydrogen station.