Article
Chemistry, Physical
Kayane K. Dingilian, Martina Lippe, Jakub Kubecka, Jan Krohn, Chenxi Li, Roope Halonen, Fatemeh Keshavarz, Bernhard Reischl, Theo Kurten, Hanna Vehkamaki, Ruth Signorell, Barbara E. Wyslouzil
Summary: This research investigates the transition of new particle formation from barrier-controlled to collision-limited process, providing a comprehensive understanding through experimental data and kinetic model.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Review
Engineering, Aerospace
Philip A. Lax, Sergey B. Leonov
Summary: Various reduced-order nucleation rate models, both classical and non-classical, are compared to experimental values for CO2 homogeneous nucleation rate in supersonic nozzles. The most accurate models are utilized in simulations of condensing supersonic expansion flows, and experimental results for CO2 condensation onset points are compared to simulations and new data from the SBR-50 facility at the University of Notre Dame.
Article
Chemistry, Physical
S. Blazquez, M. M. Conde, C. Vega, E. Sanz
Summary: CO2 and CH4 hydrates are important both energetically and environmentally. Molecular dynamics simulations reveal that the growth rate of these hydrates is affected by the incorporation of guest molecules, with CO2 hydrate growing faster due to higher solubility. Additionally, higher temperatures require more molecular motion for solid growth. Our calculations show good agreement with experiments of hydrate growth along the guest-solution interface, but further work is needed to reconcile different experimental results.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Thermodynamics
Kai Zhang, Linyang Dan, Qiang Wang, Jian Li
Summary: This paper investigated the evaporation processes and heat transfer characteristics of CO2, CF4, and CO2/CF4 on different ZnO surfaces through molecular dynamics simulations. The study revealed that the evaporation response of CO2 has a delay effect compared to CF4, and the presence of CO2 promotes the evaporation of CF4.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Multidisciplinary Sciences
Somnath Guria, Dependu Dolui, Chandan Das, Santanu Ghorai, Vikram Vishal, Debabrata Maiti, Goutam Kumar Lahiri, Arnab Dutta
Summary: Synthetic CO2-reducing catalysts are typically efficient and selective in converting CO2 into carbon feedstocks, and copper complexes resembling natural enzymes offer reversible CO2 reduction/oxidation reactions. By adjusting the conditions and catalyst biases, selective reduction or oxidation of CO2 can be achieved in organic or aqueous media.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Sarvenaz Farsi, Shengzhi Liang, Peter Pfeifer, Roland Dittmeyer
Summary: This work aims to analyze the performance of an advanced packed-bed reactor with evaporation cooling structure and high reactant throughput, utilizing pressurized water as the cooling medium. The study evaluates the reactor performance under various process conditions and investigates the influence of feed throughput and composition on reactor operation. The modelling results successfully predict experimental data regarding temperature profiles and product compositions.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Review
Chemistry, Multidisciplinary
Niklas W. Kinzel, Christophe Werle, Walter Leitner
Summary: The electrocatalytic transformation of carbon dioxide has long been a topic of interest, with recent focus on it as an alternative strategy for CO2 reduction. Studies have increasingly looked at direct electron transfer and molecular transition metal complexes as catalysts. This can lead to the production of C-1 compounds as well as more complex transformations.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Yun-Yang Lee, Nalinda P. Wickramasinghe, Ruth Dikki, Darrell L. Jan, Burcu Gurkan
Summary: This study developed a facilitated transport membrane (FTM) using functionalized ionic liquid (IL) and poly(ionic liquid) (PIL) carriers to separate CO2 from air. The results showed that the membrane achieved efficient CO2 separation under certain conditions. Additionally, the study analyzed the effects of carrier binding to CO2, ion diffusivities, and gel glass transition temperature on membrane performance.
Article
Chemistry, Multidisciplinary
Xinran S. Wang, Jenny Y. Yang
Summary: A molecular cobalt CO2 hydrogenation catalyst was used for electrocatalytic CO2 reduction in aqueous solutions. The pH-dependent selectivity between H-2 and HCO2- was explained through thermodynamic analysis and stoichiometric experiments.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Zhenzhen Zhou, Jian-Gong Ma, Jianbo Gao, Peng Cheng
Summary: The study focused on the synthesis of quinazolinones by reacting CO2 with 2-haloanilines and isocyanides, revealing that using metal-organic frameworks (MOFs) as microreactors can achieve single-molecular catalysis, effectively converting CO2 into quinazolinones with good recyclability.
Article
Chemistry, Multidisciplinary
Shelby L. Hooe, Juan J. Moreno, Amelia G. Reid, Emma N. Cook, Charles W. Machan
Summary: The study developed a co-electrocatalytic system using a Cr complex and DBTD as a redox mediator to achieve high efficiency and quantitative selectivity for the reduction of CO2 to CO. This assembly relies on through-space electronic conjugation between DBTD and the catalyst ligand.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Review
Chemistry, Multidisciplinary
Sanjeev Kushwaha, Jayashree Parthiban, Sanjay Kumar Singh
Summary: This article extensively reviews transition-metal-based molecular catalysts for reversible CO2 hydrogenation and FA dehydrogenation, with emphasis on their application in carbon-neutral hydrogen storage and release. The specific interaction between catalysts and substrates in the CO2 hydrogenation-FA dehydrogenation pathway is highlighted.
Review
Energy & Fuels
Yogendra Kumar, Jitendra S. Sangwai
Summary: Immediate measures are needed to store large quantities of anthropogenic CO2 in geological and oceanic reservoirs to address global warming and climate change. This article discusses the long-term viability, environmental sustainability, and economic potential of CO2 sequestration in the form of hydrates into oceanic and subsea sediments. The analysis shows that CO2 is denser than seawater at depths above 2800 m, providing an additional barrier for CO2 escape.
Article
Chemistry, Physical
John W. Niman, Benjamin S. Kamerin, Vitaly V. Kresin, Jan Krohn, Ruth Signorell, Roope Halonen, Klavs Hansen
Summary: The abundance spectra of (CO2)(N) clusters were analyzed under a wide range of adiabatic expansion conditions, revealing a universal pattern in cluster stability functions. Individual cluster properties, size-dependent cluster binding energies, shell and subshell closing sizes, and cuboctahedral packing ordering for larger sizes were identified through the analysis. The study demonstrates that even a small variation in dissociation energies can lead to significant abundance variations, especially for larger clusters.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Inorganic & Nuclear
Tania Gonzalez, Juventino J. Garcia
Summary: Carbon dioxide hydrosilylation using earth-abundant transition-metal catalysts is a cost-effective and environmentally friendly synthetic strategy. The use of [Mn(CO)(5)Br] as a precatalyst under mild reaction conditions resulted in efficient conversion of CO2 to desired products with high selectivity.
Article
Engineering, Chemical
Chao Chen, Hang Chen, Li Mo, Shenbin Xiao, Changjun Li, Ming Yang, Genserik Reniers
Summary: Fire-induced domino effect is a major threat to hazardous material storage tanks. Previous research neglected the impact of wind load on the thermal buckling behavior of tanks exposed to fire. This paper conducts a numerical simulation to analyze the synergistic effects of fire and wind loads on the thermal post-buckling behavior of storage tanks, considering wind parameters and heat radiation parameters.
JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES
(2024)
Article
Engineering, Chemical
Zhang Chu, Liu Lili, Li Wei, Li Beibei, Liu Mingxing
Summary: This study predicts the fatigue life of blasting discs using a combined simulation method and measures the deformation of conventional slotted blasting discs subjected to repeated loading using a high-precision laser scanning method. A relationship model is established between deformation, loading pressure, cycle number, and change in blasting pressure. The results show that the deformation varies linearly with the cycle number and follows a power function relationship with the change in blasting pressure. The deformation can be used to accurately predict the fatigue life of blasting discs.
JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES
(2024)
Article
Engineering, Chemical
Shin-Mei Ouyang, Jia-Chi Ye, Wei-Chun Chen, Yu-Jen Chen, Chin-Feng Chen
Summary: This study employed the Taguchi method and analysis of variance to investigate the factors that influence the deterioration of pyrotechnics when stored under different humidity and temperature conditions. Various experimental methods were used to study the microstructure, heat flow, and safety of the pyrotechnics. The results showed that humidity had a significant impact on the pyrotechnics, and controlling humidity could reduce the hazards associated with storing pyrotechnics.
JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES
(2024)
Article
Engineering, Chemical
Bei Li, Huiqiang Liu, Heng Gao, Chi-Min Shu, Mingshu Bi
Summary: The moisture content sprayed into the dust layer in industrial sites is a main factor affecting reignition. The study found that moisture has a certain influence on the thermophysical properties of the dust layer, playing an important role in heat transfer and heat absorption processes. The results showed that as the moisture content increased, the thermal conductivity and heat sink density of the sample increased, indicating the need to have a heat sink density higher than the heat increase value to suppress ignition.
JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES
(2024)
Article
Engineering, Chemical
Yue Jing, Yong Pan, Fan Yang, Dan Wei, Wenhe Wang
Summary: A comprehensive risk assessment method for the esterification process was proposed in this study. It established a comprehensive evaluation index system and utilized improved Dempster-Shafer evidence theory and cloud model for assessment. The method was validated through case studies and showed consistency with established indexes.
JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES
(2024)