MR
Authored
8 records found
Brick-CFCMC
Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method
We present a new molecular simulation code, Brick-CFCMC, for performing Monte Carlo simulations using state-of-the-art simulation techniques. The Continuous Fractional Component (CFC) method is implemented for simulations in the NVT/NPT ensembles, the Gibbs Ensemble, the Grand-Ca
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Viability assessment of large-scale Claude cycle hydrogen liquefaction
A study on technical and economic perspective
The competitiveness of hydrogen as a sustainable energy carrier depends greatly on its transportation and storage costs. Liquefying hydrogen offers advantages such as enhanced purity, versatility, and higher density, yet current industrial liquefaction processes face efficiency a
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CO<sub>2</sub> solubility in small carboxylic acids
Monte Carlo simulations and PC-SAFT modeling
Carbon dioxide (CO2) can electrochemically be converted to a range of products including formic acid (HCOOH) and acetic acid (CH3COOH). The yield of the products in an electrolysis cell depends on the solubility of CO2 in the (aqueous) mixture. In absence of experimental data, Mo
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CO<sub>2</sub> solubility in small carboxylic acids
Monte Carlo simulations and PC-SAFT modeling
Carbon dioxide (CO2) can electrochemically be converted to a range of products including formic acid (HCOOH) and acetic acid (CH3COOH). The yield of the products in an electrolysis cell depends on the solubility of CO2 in the (aqueous) mixture. In absence of experimental data, Mo
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Carbonation in Low-Temperature CO<sub>2</sub> Electrolyzers
Causes, Consequences, and Solutions
Electrochemical reduction of carbon dioxide (CO2) to useful products is an emerging power-to-X concept, which aims to produce chemicals and fuels with renewable electricity instead of fossil fuels. Depending on the catalyst, a range of chemicals can be produced from CO2 electroly
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Electrochemical Reduction of CO<sub>2</sub>to Oxalic Acid
Experiments, Process Modeling, and Economics
We performed H-cell and flow cell experiments to study the electrochemical reduction of CO2 to oxalic acid (OA) on a lead (Pb) cathode in various nonaqueous solvents. The effects of anolyte, catholyte, supporting electrolyte, temperature, water content, and cathode potential on t
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Liquid-Liquid Extraction of Formic Acid with 2-Methyltetrahydrofuran
Experiments, Process Modeling, and Economics
Formic acid (FA) is an interesting hydrogen (H2) and carbon monoxide (CO) carrier that can be produced by the electrochemical reduction of carbon dioxide (CO2) using renewable energy. The separation of FA from water is challenging due to the strong (cross)association of the compo
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Electroreduction of CO<sub>2</sub>/CO to C<sub>2</sub>Products
Process Modeling, Downstream Separation, System Integration, and Economic Analysis
Direct electrochemical reduction of CO2 to C2 products such as ethylene is more efficient in alkaline media, but it suffers from parasitic loss of reactants due to (bi)carbonate formation. A two-step process where the CO2 is first electrochemically reduced to CO and subsequently
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Contributed
12 records found
Developing and Controlling a Hybrid Renewable Energy System with Solar PV and Modular Alkaline Electrolysis
The Future of Decentralized Hybrid Renewable Energy Systems
Renewable energy resources like wind and solar have the potential to revolutionize our energy infrastructure and enable a decarbonized society. The intermittent nature of renewables poses a challenge to ensuring a consistent and reliable electricity supply. Hydrogen technology is
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Syngas Purification
Design of a Rectisol® based purification plant for the removal of impurities and simultaneous capture of CO<sub>2</sub> from the works arising gases of an integrated steel mill
The steel making industry is highly energy intensive and a great contributor of greenhouse gas (GHG) emissions. It generated between 7% and 9% of direct emissions from the global use of fossil fuels in 2017 [1]. Gas emissions in an integrated steel mill (ISM) arise mainly from th
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Large-Scale Hydrogen Liquefaction
Process Modelling, Viability and Techno-economic Analysis
Hydrogen's competitiveness as a sustainable energy carrier depends greatly on its transportation and storage costs. Liquefying hydrogen for these purposes offers benefits like purity, versatility, and higher density. However, current industrial hydrogen liquefaction processes fac
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Green hydrogen production from offshore wind power
A reliability centric approach to an integrated techno-economic system performance evaluation
The objective of this study is to generate insights into the application of the reliability of a W2H system and its impact on the techno-economic performance. This involves examining the case of a single system to analyse on a micro-level the underlying conditions affecting perfo
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Process Integration of Electrolysis, Gasification and Syngas Upgrading for Biofuel Production
A techno-economic assessment
The transport sector remains one of the largest CO2 emitting sectors globally. Decarbonizing the transport sector is an important aspect in the energy transition. The word transition is key, since it will take several decades or more to transition to a fully sustainable world. Du
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Carbon sequestration involves the conversion of carbon dioxide gas into carbonates through reactions with magnesium or calcium bearing minerals, presenting a potential method to mitigate CO2 emissions and reduce their release into the atmosphere. This process can be classified in
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Extraction with Crown Ethers
A Promising Approach for Lithium-ion Battery Recycling
Many of the high-performance portable electronics and electric vehicles (EVs) on the market depend on lithium-ion batteries (LIBs) as their primary energy source. If millions of EVs are to be manufactured each year, rigorous resource management for EV battery manufacturing, as we
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Blue Hydrogen in a flexible multicommodity energy system for ammonia production
A dynamic numerical model of blue hydrogen production in a multi-commodity energy system to produce ammonia for conceptual design and simulation purposes
Low-carbon hydrogen is expected to have a large role in future energy systems. Recent research shows the short-term financial feasibility of blue hydrogen is often higher than green hydrogen. Ammonia production is particularly carbon-intensive due to its hydrogen production route
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Biomass gasification in a novel 50 kWth bubbling fluidized bed steam reformer
Kinetic Model Optimization and Preliminary Evaluation of Product Gas Recycle and Process Conditions for Methanol Production
Meeting the ever-increasing energy demands in our planet where conventional sources of energy are finite and fast depleting, controlling adverse phenomena like climate change, soil erosion, greenhouse gas emission, ozone layer thinning and pollution will remain profound challenge
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Electrified Haber-Bosch Process
Green Ammonia Production
This report provides a design for a new process to make the ammonia-producing Haber-Bosch process more sustainable by reducing its CO2 emissions. It presents different elements of a process design with most importantly; process diagrams, mass and energy balances and a techno-econ
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From Bio-Oil to Gasoline: a Novel Integrated Process for Sustainable Fuel Production
A techno-economic assessment of a Power and Biomass to Liquid plant, integrating electrolysis, bio-oil gasification, direct DME synthesis, and DME to gasoline
The intensification of human and industrial activities since the Industrial Revolution has led to a significant increase in global greenhouse gas emissions, posing a threat to life on our planet. As the transportation sector contributes to 23% of global CO2 emissions, it is imper
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Techno-Economics of Green Hydrogen
Production, Compression, Transportation and Storage
To comply with the Paris Agreement, the Dutch government has launched an energy transition process, with the goal of replacing coal and natural gas-based electricity with renewable sources. The intermittent nature of renewable electricity necessitates the installation of an energ
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