CO2 Partial Pressure Research Articles

Novel resources to investigate leaf plasmodesmata formation in C3 and C4 monocots.

Plasmodesmata (PD) are nanochannels that facilitate cell-to-cell transport in plants. More productive and photosynthetically efficient C4 plants form more PD at the mesophyll (M)-bundle sheath (BS) interface in their leaves than their less efficient C3 relatives. In C4 leaves, PD play an essential role in facilitating the rapid metabolite exchange between the M and BS cells to operate a biochemical CO2 concentrating mechanism, which increases the CO2 partial pressure at the site of Rubisco in the BS cells and hence photosynthetic efficiency. The genetic mechanism controlling PD formation in C3 and C4 leaves is largely unknown, especially in monocot crops, due to the technical challenge of quantifying these nanostructures with electron microscopy. To address this issue, we have generated stably transformed lines of Oryza sativa (rice, C3) and Setaria viridis (setaria, C4) with fluorescent protein-tagged PD to build the first spatiotemporal atlas of leaf pit field (cluster of PD) density in monocots without the need for electron microscopy. Across leaf development, setaria had consistently more PD connections at the M-BS wall interface than rice while the difference in M-M pit field density varied. While light was a critical trigger of PD formation, cell type and function determined leaf pit field density. Complementary temporal mRNA sequencing and gene co-expression network analysis revealed that the pattern of pit field density correlated with differentially expressed PD-associated genes and photosynthesis-related genes. PD-associated genes identified from our co-expression network analysis are related to cell wall expansion, translation and chloroplast signalling.

Dependence of cyanobacterium growth and Mars-specific photobioreactor mass on total pressure, pN2 and pCO2

In situ resource utilization systems based on cyanobacteria could support the sustainability of crewed missions to Mars. However, their resource-efficiency will depend on the extent to which gases from the Martian atmosphere must be processed to support cyanobacterial growth. The main purpose of the present work is to help assess this extent. We therefore start with investigating the impact of changes in atmospheric conditions on the photoautotrophic, diazotrophic growth of the cyanobacterium Anabaena sp. PCC 7938. We show that lowering atmospheric pressure from 1 bar down to 80 hPa, without changing the partial pressures of metabolizable gases, does not reduce growth rates. We also provide equations, analogous to Monod’s, that describe the dependence of growth rates on the partial pressures of CO2 and N2. We then outline the relationships between atmospheric pressure and composition, the minimal mass of a photobioreactor’s outer walls (which is dependent on the inner-outer pressure difference), and growth rates. Relying on these relationships, we demonstrate that the structural mass of a photobioreactor can be decreased – without affecting cyanobacterial productivity – by reducing the inner gas pressure. We argue, however, that this reduction would be small next to the equivalent system mass of the cultivation system. A greater impact on resource-efficiency could come from the selection of atmospheric conditions which minimize gas processing requirements while adequately supporting cyanobacterial growth. The data and equations we provide can help identify these conditions.

Preparation and Characterization of Materials for Low- to Intermediate-Temperature CO2 Adsorption

Global carbon dioxide emissions are rising and the use of fossil fuels in several sectors are the leading causes. As global population and economies continue to grow significantly, the most practical method of lowering such emissions is to capture CO2. Although other technologies are more developed, adsorption is very promising and has attracted much attention. To ensure this technology’s success, it is essential to have suitable CO2 adsorbent materials. In this work, several new hydrotalcites (HTs) with different initial concentrations of ion precursors were prepared for the first time by the co-precipitation method—it was possible to verify that the ion concentrations influence the characteristics of the materials. The prepared HTs were characterized by thermogravimetric analysis (TG), X-Ray diffraction (XRD), surface area measurements and temperature-programmed desorption of CO2 (TPD-CO2) to relate their CO2 capture capacity to their physicochemical properties; the CO2 adsorption equilibrium isotherms were determined at 35 and 300 °C for the prepared samples, as well as for some commercial materials: magnesium oxide, calcium oxide, aluminium oxide and Zeolite 13X. After determining which materials present the best CO2 adsorption capacity, these were submitted to adsorption-desorption cycles to study their stability. The main objective of the work was to prepare and study different CO2 adsorbents for processes that are carried out at low and intermediate temperatures. From the experimental results, it was possible to conclude that the Zeolite 13X showed the best capacity at 35 °C, 3.38 mmol·g−1 (@ pCO2 = 1 bar), and a prepared calcined HT (c-HT2) was the best at 300 °C, 0.97 mmol·g−1 (@ pCO2 = 1 bar). Moreover, it seems there is an optimum initial concentration of the ions’ solutions for the tested HTs, which depends on the final application—c-HT1 showed a better capacity at 35 °C and c-HT2 at 300 °C. From the adsorption-desorption cycles—performed at 35 and 300 °C with the best materials using a magnetic suspension microbalance at 1 bar of CO2 partial pressure —, a working cyclic capacity of 2.69 mmol∙g−1 was achieved by the Zeolite at 35 °C; in turn, c-HT2 showed a working cyclic capacity of 0.79 mmol∙g−1 at 300 °C.

Distribution and air-sea fluxes of CO2 in coral reefs in the Greater Bay Area, China

From May to June 2021, the sea surface partial pressure of CO2 (pCO2) and air-sea CO2 fluxes around six coral reefs in the Great Bay Area (contain Pearl River Estuary (PRE) and Daya Bay) were investigated respectively. The distribution of seawater pCO2 around different coral reefs were quite different. The seawater pCO2 of the coral reef region of Daya Bay is relatively high, ranging from 268 to 496 µatm. In contrast, the pCO2 levels in the coral reef area of the PRE are significantly lower, with measurements ranging from 84 to 374 µatm. Further analysis showed that the distribution of seawater pCO2 around the coral reefs of the PRE were mainly affected by biological metabolism and seawater mixing, while those in Daya Bay were mainly controlled by temperature and seawater mixing. During the survey, the three coral reefs in the PRE were affected by algal blooms showing strong sinks of atmospheric CO2 ranging from −12.3 to −19.2 mmol CO2 m−2 d−1. However, the difference between the seawater pCO2 and atmospheric pCO2 in the three coral reefs of Daya Bay were all very small, and they were weak sources or sinks of atmospheric CO2, respectively.

Effectiveness of ultra-/very-high-frequency oscillations combined with helium–oxygen gas mixture in a rabbit model

High-frequency oscillatory ventilation (HFOV) at frequencies of approximately 15 Hz is associated with optimal CO2 excretion. Higher frequencies using a nitrogen–oxygen gas mixture worsen CO2 excretion. An in vitro experiment using HFOV and a helium–oxygen gas mixture showed a significant increase in CO2 transport, which increased with increases in ventilation frequency. We hypothesised that in HFOV, the change in the arterial partial pressure of CO2 (PaCO2) would be greater at frequencies above 15 Hz when combined with helium–oxygen gas mixture administration. We tested this hypothesis in a hypoventilated healthy rabbit model by administering a helium–oxygen gas mixture at 15, 25, 35, and 45 Hz frequencies. One-way repeated measures ANOVA showed a significant decrease in PaCO2 among the four ventilation frequency groups. Post-hoc analysis showed significant differences between 15 and 35 Hz frequencies and between 15 and 45 Hz frequencies. The mean (standard error) decrease of PaCO2 was 10.8 (2.2), 14.1 (2.3), 21.3 (3.3), and 23.1 (2.5) mmHg at 15, 25, 35, and 45 Hz, respectively. Combination therapy of helium–oxygen gas mixture and high-frequency oscillation using ultra/very high frequencies (35–45 Hz) was associated with a greater PaCO2 decrease than that using the standard frequency (15 Hz).

Kinetic investigation on palladium‐catalyzed carbonylation of allyl alcohol

AbstractPalladium‐catalyzed carbonylation of allyl alcohol to 3‐butenoic acid has been investigated. A significant effect of halide promoters, p‐tolylsulfonic acid (TsOH), water, solvents, and PPh3 concentration activity and selectivity has been studied. Detailed kinetics of this reaction was investigated in a temperature range of 363–383 K. The influence of parameters such as stirring speed, allyl alcohol, catalyst, benzyltriethylammonium chloride (BTEAC), TsOH concentrations, and CO partial pressures on the activity and selectivity has been studied. An empirical rate equation was suggested and found to be fairly consistent with observed rate data. In addition, the activation energy and kinetic parameters were evaluated.

Thermodynamic Modeling of an Aqueous N,N-Dimethyldipropylenetriamine and Benzylamine Blend for Efficient CO2 Capture.

This study evaluates the carbon dioxide (CO2) capture capabilities of a novel aqueous blend of N,N-dimethyldipropylenetriamine (DMDPTA) and benzylamine (BA). The solvent properties such density, vapor- liquid equilibrium (VLE) of CO2 in the solvent, CO2 absorption enthalpy are evaluated experimentally for solvent composition of (5 mass% DMDPTA + 25 mass% BA), (10 mass% DMDPTA + 20 mass% BA), and (15 mass% DMDPTA + 15 mass% BA). Solvent density were measured in the temperature range of 303.15K-333.15K and correlated using Redlich-Kister excess molar volume model, with a low average absolute relative deviation (AARD) of 0.014. VLE data was measured using a custom-made stirred VLE cell, within CO2 partial pressure range of 2-200 kPa and at temperatures 313.15K, 323.15K and 333.15K. Equilibrium CO2 solubility data were correlated using a modified Kent-Eisenberg model, achieving an AARD of 1.5%. Enthalpy of CO2 absorption was measured at 313.15 K using a Meter Toledo reaction calorimeter. Results indicated that under similar process conditions and solvent composition, (DMDPTA+BA) blends exhibited significantly higher CO2 loading and low absorption enthalpy compared to aqueous BA and monoethanolamine (MEA) solvent alone indicating the potential of (DMDPTA+BA) blend as efficient CO2 capture solvent.

Assessment of the influence of glycol and alcohol on the morphology and protective properties of iron carbonate in carbon dioxide corrosion of gas pipelines

The potential effect of hydrate formation inhibitors (glycols, alcohols) — components of the liquid phase of gas pipeline operating media — on carbon dioxide corrosion during the transport of aggressive gas has not been sufficiently studied. The paper presents the results of a study of the corrosive effect of glycol (alcohol) present in the liquid phase on the composition and properties of corrosion products on steel when modeling the main aggressive factors under conditions of transport of CO2-containing gas. On a corrosion stand, the aggressive conditions of alternating wetting of gas pipeline walls with water were reproduced. The fluid circulation characteristic of a partially filled pipeline can have an effect on preventing the formation or destruction of films of corrosion products (iron carbonate, siderite) on the steel surface. In places of cracking and peeling of siderite formed in the presence of CO2, conditions will be created for the formation of general and local corrosion damage. During simulation tests, monoethylene glycol and isopropanol, as well as their aqueous solutions of different concentrations, were used. For the first time, data on the formation and composition of non-stoichiometric siderite in water-glycol and water-alcohol media at CO2 partial pressures and temperature were obtained. By processing diffraction patterns obtained by X-ray diffraction, the degree of substitution of iron ions in non-stoichiometric siderites by other cations was determined. The dependence of the degree of substitution on the concentration of alcohol (glycol) in their aqueous solutions was analyzed. It was revealed that with an increase in glycol concentration, a decrease in the rate of local corrosion is observed. With a high glycol content, internal corrosion is completely suppressed in the presence of CO2. It has been established that in aqueous-alcoholic media at elevated temperatures, local carbon dioxide corrosion does not occur. This is apparently due to the uneven distribution of water and alcohol in the mixture. The results obtained can be used in assessing internal carbon dioxide corrosion in the presence of glycol (alcohol), used at gas facilities as an inhibitor of hydrate formation.

The optimal dietary sodium and chloride level for broiler chicks fed a corn-soybean meal diet between 1 and 21 days of age.

The experiment was conducted to estimate the ideal dietary sodium (Na) and chloride (Cl) level for broilers during d 1 to 21 using a corn-soybean meal diet under a dietary Na:Cl ratio of 1:1. A total of 490 one-d-old Arbor Acres male broilers were randomly allotted by bodyweight to 1 of 7 treatments in a completely randomized design. Each treatment consisted of 7 replicate cages with 10 chicks per cage. Broilers were fed a Na and Cl-unsupplemented corn-soybean meal basal diet (control, containing 0.02% Na and 0.08% Cl) and the Na and Cl-supplemented basal diets containing 0.14%, 0.20%, 0.26%, 0.32%, 0.38% and 0.44% Na and Cl levels, respectively for 21 d. The results indicated that average daily gain, average daily feed intake, blood partial pressure of CO2 and concentrations of HCO3-, total CO2, Na+, Cl-, base excess and anion gap, tibial ash and ash Na contents of broilers were affected (P < 0.001) by dietary Na and Cl level, and increased linearly (P < 0.001) and quadratically (P < 0.001) with increasing Na and Cl levels. Feed/gain ratio, mortality, blood K+ concentration, serum osmotic pressure and K+, glucose and uric acid concentrations as well as heart, liver and kidney indices of broilers were affected (P < 0.01) by dietary Na and Cl level, and decreased linearly (P < 0.001) and quadratically (P < 0.001) with increasing Na and Cl levels. The estimates of dietary optimal Na and Cl levels were 0.07%-0.16% according to the best fitted broken-line or asymptotic models (P < 0.001) of the above sensitive indicators. Therefore, the optimal dietary Na and Cl level was suggested to be 0.16% to support all of the above Na and Cl metabolic requirements of broilers fed the corn-soybean meal diet during d 1 to 21, which is lower than the recommendation at 0.20% by the Chinese Feeding Standard of Chicken (2004).

Seasonal dynamics and regional distribution patterns of CO2 and CH4 in the north-eastern Baltic Sea

Abstract. Significant research has been carried out in the last decade to describe the CO2 system dynamics in the Baltic Sea. However, there is a lack of knowledge in this field in the NE Baltic Sea, which is the main focus of the present study. We analysed the physical forcing and hydrographic background in the study year (2018) and tried to elucidate the observed patterns of surface water CO2 partial pressure (pCO2) and methane concentrations (cCH4). Surface water pCO2 and cCH4 were continuously measured during six monitoring cruises onboard R/V Salme, covering the Northern Baltic Proper (NBP), the Gulf of Finland (GoF), and the Gulf of Riga (GoR) and all seasons in 2018. The general seasonal pCO2 pattern showed oversaturation in autumn–winter (average relative CO2 saturation 1.2) and undersaturation in spring–summer (average relative CO2 saturation 0.5), but it locally reached the saturation level during the cruises in April, May, and August in the GoR and in August in the GoF. The cCH4 was oversaturated during the entire study period, and the seasonal course was not well exposed on the background of high variability. Surface water pCO2 and cCH4 distributions showed larger spatial variability in the GoR and GoF than in the NBP for all six cruises. We linked the observed local maxima to river bulges, coastal upwelling events, fronts, and occasions when vertical mixing reached the seabed in shallow areas. Seasonal averaging over the CO2 flux suggests a weak sink for atmospheric CO2 for all basins, but high variability and the long periods between cruises (temporal gaps in observation) preclude a clear statement.

Modeling of carbon dioxide absorption into aqueous alkanolamines using machine learning and response surface methodology

This research focuses on modeling CO2 absorption into alkanolamine solvents using multilayer perceptron (MLP), radial basis function network (RBF), Support Vector Machine (SVM), networks, and response surface methodology (RSM). The parameters, including solvent density, mass fraction, temperature, liquid phase equilibrium constant, CO2 loading, and partial pressure of CO2, were used as input factors in the models. In addition, the value of CO2 mass flux was considered as output in the models. Trainlm, trainbr, and trainscg algorithms trained the networks. The results showed that the best number of neurons for MLP with one layer is 16; with two layers, 5 neurons in the first layer and 12 neurons in the second layer; and with three layers, 9 neurons in the first layer, 5 neurons in the second layer, and 1 neuron in the third layer. The best spread in RBF was found to be 2.202 for optimal network performance. Furthermore, statistical data analysis revealed that the trainlm function performs best. The coefficients of determination for RSM, MLP, RBF, and SVM for optimized structures are obtained at 0.9802, 0.9996, 0.9940, and 0.8946, respectively. The results demonstrate that MLP and RBF networks can model CO2 absorption using the trainlm, trainbr, and trainscg algorithms.

CO2 gas-liquid equilibrium study and machine learning analysis in MEA-DMEA blended amine solutions

The combination of primary and tertiary amines represents a promising approach to improve sorbent performance in CO2 capture by enhancing absorption efficiency and reducing regeneration energy. This study focuses on investigating the absorption performance of binary mixtures of ethanolamine (MEA) and N,N-dimethylethanolamine (DMEA) at temperatures between 298–323 K and CO2 partial pressures between 5–60 kPa. The species generated during the absorption were analyzed using 13C NMR spectroscopy, to clarify the intricate role of MEA and DMEA in the capture process. A developed excess property model for MEA-DMEA, based on excess CO2 loading, predicted equilibrium CO2 solubility data with an average absolute relative deviation (AARD) of 1.6 %. Additionally, the machine learning models XGBoost, RBFNN, and SVR were applied, providing AARD values between 0.86 % and 1.28 %, demonstrating strong agreement between experimental and predicted outcomes. These comprehensive findings enhance our understanding of mixed amines’ mechanisms and practical applications, contributing to ongoing research development.

Attenuating susceptibility to ascites in cold-stressed broiler chickens fed canola meal-based diets by supplementing arginine or guanidinoacetic acid, either alone or in combination with phenylalanine.

The purpose of this study was to determine the effects of dietary supplementation of arginine (ARG) or guanidinoacetic acid (GAA), with or without phenylalanine (PHE), on the ascites susceptibility in the cold-stressed broilers fed canola meal (CM)-based diet. A total of 450 one-day-old male broiler chicks were randomly allocated to 30 floor pens with 6 replications for each of the 5 treatments. The dietary treatments were as follows: CM-based diet (control), CM-based diet+2.57g/kg ARG, CM-based diet+1.8g/kg GAA, CM-based diet+2.57g/kg ARG+1.5g/kg PHE and CM-based diet+1.8g/kg GAA+1.5g/kg PHE. The groups experienced cold stress induction starting at 32°C on day one, with gradual reductions to 15°C on days 21. The temperature was then held at 15°C for the remainder of the experiment. The supplements ARG+PHE and GAA+PHE resulted in improved feed conversion ratios (FCR) when compared to the control group. In comparison with the control group, supplementation of ARG and ARG+PHE decreased the ascites mortality by increasing the plasma nitric oxide level (NO), blood O2 partial pressure, blood O2 saturation (SO2), and decreasing the blood CO2 partial pressure (PCO2) and right ventricle to total ventricle (RV:TV) ratio. Supplementation of GAA and GAA+PHE also declined ascites mortality by reducing blood PCO2 while increasing blood SO2 and plasma NO levels. Although plasma corticosterone level and RV:TV ratio were similar between the GAA and control groups, adding GAA+PHE significantly reduced both compared to the control group. In summary, supplementing cold-stressed broiler chicken diets with 2.57g/kg ARG may alleviate hypertension. Additionally, 1.8g/kg GAA proves to be an effective substitute for dietary ARG in low-ARG diets, alleviating adverse effects from cold stress. Proper PHE formulation, at 1.5g/kg in this study, is crucial when using ARG and GAA supplements.

Electrokinetic Analysis-Driven Promotion of Electrocatalytic CO Reduction to n-Propanol.

The electrocatalytic carbon dioxide or carbon monoxide reduction reaction (CO2RR or CORR) features a sustainable method for reducing carbon emissions and producing value-added chemicals. However, the generation of C3 products with higher energy density and market values, such as n-propanol, remains highly challenging, which is attributed to the unclear formation mechanism of C3+ versus C2 products. In this work, by the Tafel slope analysis, electrolyte pH correlation exploration, and the kinetic analysis of CO partial pressure fitting, it is identified that both n-propanol and C2 products share the same rate-determining step, which is the coupling of two C1 intermediatesvia the derivation of the Butler-Volmer equation. In addition, inspired by the mechanistic study, it is proposed that a high OH─ concentration and a water-limited environment are beneficial for promoting the subsequent *C2-*C1 coupling to n-propanol. At 5.0m [OH-], the partial current density of producing n-propanol (jn-propanol) reached 45 mAcm-2, which is 35 and 1.3 times higher than that at 0.01m [OH-] and 1.0m [OH-], respectively. This study provides a comprehensive kinetic analysis of n-propanol production and suggests opportunities for designing new catalytic systems for promoting the C3 production.

Association of dynamic changes in arterial partial pressure of carbon dioxide with neurological outcomes in aneurysmal subarachnoid hemorrhage

BackgroundCerebral blood flow (CBF) is closely regulated by carbon dioxide (CO2). In patients with aneurysmal subarachnoid hemorrhage (aSAH), abnormal arterial partial pressure of CO2 (PaCO2) might deteriorate brain injuries. Nevertheless, the impact of dynamic PaCO2 fluctuations on neurological outcomes in aSAH patients has not been extensively studied. Our study aimed to investigate the association between dynamic PaCO2 levels and unfavorable neurological outcomes in aSAH patients. MethodsIn this retrospective observational study, we consecutively enrolled 159 aSAH patients from December 2019 to July 2021. Arterial blood gas measurements within 10 days after intensive care unit (ICU) admission for each patient were recorded to calculate the time-weighted average (TWA)-PaCO2, an indicator representing the dynamic changes in PaCO2 levels. For the association between TWA-PaCO2 levels and unfavorable neurological outcomes in aSAH patients, multivariable logistic analysis was used to explore TWA-PaCO2 levels as categorical variables, and restricted cubic spline (RCS) was used to explore TWA-PaCO2 levels as continuous variables. ResultsIn multivariable logistic analysis, after adjusting confounders, when TWA-PaCO2 35–45 mmHg was as a reference, TWA-PaCO2 < 35 mmHg (odds ratio [OR] 2.15, 95 % confidence interval [CI] 0.83–5.55, P = 0.113) and TWA-PaCO2 > 45 mmHg (OR 8.31, 95 % CI 0.72–96.14, P = 0.090) were not independently associated with unfavorable neurological outcomes (modified Rankin score of 3–6). The RCS shows a “U” shape curve between TWA-PaCO2 levels and unfavorable neurological outcomes, with a nonlinear P-value of 0.023. The lowest ORs of unfavorable neurological outcomes were within PaCO2 32.8–38.1 mmHg. ConclusionsBoth lower and higher PaCO2 levels are harmful to aSAH patients. PaCO2 in the range of 32.8–38.1 mmHg is associated with lowest unfavorable neurological outcomes.

Groundwater-derived carbon stimulates headwater stream CO2 emission potential on the Qinghai-Tibet Plateau

CO2 emissions from headwater streams are a crucial component of greenhouse gas flux in inland waters. However, the influence of groundwater, a major contributor to streams in the Asian Water Tower (Qinghai-Tibet Plateau, QTP), on CO2 levels remains unclear. This study employed stable isotope analysis and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) to demonstrate that groundwater-derived dissolved inorganic carbon (DIC) significantly enhances CO2 supersaturation in the Shuiluo stream on the QTP. Specifically, the partial pressure of CO2 (pCO2), indicative of CO2 emission potential, increased more than threefold to 1,615 ± 495 μatm in groundwater-rich sites, nearly one time higher than the mean value (843 μatm) across the QTP. Groundwater-derived carbonate weathering had a significant impact of 76.6% on the increased pCO2, whereas the degradation of highly unsaturated polyphenolics with high O/C contributed to a decrease of 15.8%. The estimated inflow of groundwater-derived DIC could reach 9.59 ± 0.34 Tg C/y in total runoff across the QTP, highlighting significant CO2 sources. This study presents new findings on the effects of groundwater-derived DIC on stream CO2 emissions in weathered regions and expands our knowledge of fluvial CO2 emission on the QTP.

Modeling CO2 loading capacity of triethanolamine (TEA) aqueous solutions via a deep learning approach

Capturing carbon dioxide (CO2) from natural gas is essential for reducing CO2 emissions as a greenhouse gas as well as increasing the gas heating value. Absorption of CO2 by amine solutions is a method that has seen a widespread use as a CO2 collection technique. In this research, advanced ML approaches are utilized to simulate the CO2 loading capacity of triethanolamine (TEA) aqueous solutions as a function of system temperature, CO2 partial pressure, and amine concentration in the aqueous phase. Deep neural network (DNN), Gaussian process regressor (GPR), deep belief network (DBN) and bagging regressor (BR) are the models that have been developed. The DNN model with the coefficient of determination (R2) of 0.9990 as well as the root mean square error (RMSE) of 0.0073 outperformed other models in terms of accuracy and validity. The R2 values of 0.9911, 0.9861, and 0.9745 for DBN, BR, and GPR, accordingly, showed that other models could likewise perform with high accuracy. Moreover, trend analysis of the results confirmed that the DNN method can correctly estimate the behavior of CO2 loading with variations in the input parameters. Furthermore, a sensitivity analysis showed that temperature has a decreasing effect on the CO2 loading, while amine concentration and CO2 partial pressure exhibited to have an incremental effect. Herein, the temperature had the greatest influence on the amount of CO2 loading. The final stage of the research was the leverage approach, which stated that about 99% of the data are statistically valid and the DNN model is reliable to be replaced by experimental approaches in the prediction of CO2 absorption into certain type of solutions.

A DFT and microkinetic modeling study of pressure effects on electroreduction reduction of CO2 to ethanol

The CO2 electroreduction reaction (CO2RR) is a promising way to convert surplus renewable electricity into valuable low-carbon fuel. Ethanol is one of the most beneficial products because of its high energy density, ready transport, and extensive use. The CO2 partial pressure (PCO2) significantly impacts ethanol formation. This work explores the mechanism of pressure dependence in ethanol formation on the Cu2O/Cu(111) surface via the density functional theory (DFT) and microkinetic model calculations. DFT results show that *CO is the major adsorbate on the catalyst surface, and its coverage is the descriptor of pressure. Initially, increasing the coverage of *CO promotes the C–C coupling to ethanol, while the excess coverage shifts the potential determining step (PDS) from the *CHO formation to the *CHO–*CO addition, prejudicing the ethanol formation. The degree of selectivity control (DSC) results show that *CO stability positively affects ethanol production, and the effects decrease with the pressure increase. The stabilities of *H and *CH3CH2OH exhibit the negative effects, which increase with the pressure. They lead to the volcano plot of the pressure dependence on ethanol formation. The mechanistic insights gained from this work provide relevant guidelines to optimize the reaction pressure conditions for the CO2RR to ethanol reaction.

Impact of CO2 as an oxidant on the decarburization and chromium retention and an approach for CO2 recycling

This study explores the unique role of CO2 as an oxidant in stainless steel smelting, focusing on its effectiveness in decarbonization and chromium retention. The research begins by theoretically demonstrating that although the introduction of CO2 increases the CO partial pressure in the reaction system, the decarburization and chromium (Cr) retention capabilities of CO2 can still be stably maintained through the rational adjustment of the molten steel composition, temperature, and inert gas proportions. Further experimental findings indicate that chromium does not exhibit significant oxidation losses when the carbon (C) content exceeds 1.0% (mass). Finally, a novel CO2 recovery and utilization approach is proposed, integrating CO2 capture from smelting flue gas and recycling it for smelting, reducing O2 consumption and energy costs. This innovative process, compatible with existing smelting plants, presents a promising pathway towards carbon neutrality in the iron and steel industry, bridging theoretical insights with practical applications.

Direct fabrication of polycrystalline γ-alumina nanochains-supported Pt nanoparticles on macroscopic ceramic substrates

We report the direct fabrication of polycrystalline γ-Al2O3 nanochains-supported Pt nanoparticles on macroscopic substrates, such as monolithic honeycombs and porous disc-typed ceramics, via chemical vapor deposition. We also investigate solid-gas reactions between the γ-Al2O3 nanochains@Pt nanoparticles and CO using in-situ transmission electron microscopy (TEM). The SEM, TEM, STEM, and XRD patterns reveal that γ-Al2O3 nanochains, 80 nm in diameter, were uniformly formed on the surfaces of macroscopic ceramic substrates. High-resolution TEM (HTEM) images confirm the polycrystalline and kinking structures connecting the nanochains. The coating thickness of γ-Al2O3 nanochains layer is approximately 100㎛. The EDX images and XPS graphs indicate that Pt nanoparticles, 3.5 nm in diameter, are well-coated on the surfaces of the γ-Al2O3 nanochains. The uniform distribution of Pt nanoparticles is precisely controlled utilizing autogenic pressure reaction. Additionally, in-situ observation significantly highlights the physicochemical phenomena of the γ-Al2O3 nanochains@Pt nanoparticles over time under CO supply at 300°C. Coke formation was accelerated on the surface of catalysts as increase of CO partial pressure increase, while Pt nanoparticles is very stable without the migration and aggregation.