Gas Composition Research Articles

An Active and Regenerable Nanometric High-Entropy Catalyst for Efficient Propane Dehydrogenation.

Propane dehydrogenation (PDH) is crucial for propylene production, but commercially employed Pt-based catalysts face susceptibility to deactivation due to the Pt sintering during reaction and regeneration steps. Here, we report a SiO2 supported nanometric (MnCoCuZnPt) high-entropy PDH catalyst with high activity and stability. The catalyst exhibited a super high propane conversion of 56.6% with 94% selectivity of propylene at 600 °C. The propylene productivity reached 68.5 molC3H6·gPt-1·h-1, nearly three times that of Pt/SiO2 (23.5 molC3H6·gPt-1·h-1) under a weight hourly space velocity of 60 h-1. In a high-entropy nanoparticle, Pt atoms were atomically dispersed through coordination with other metals and exhibited a positive charge, thereby showcasing remarkable catalytic activity. The high-entropy effect contributes to the catalyst a superior stability with a low deactivation constant of 0.0004 h-1 during 200 hours of reaction under the industrial gas composition at 550 °C. Such high-entropy PDH catalyst is easy regenerated through simple air combustion of deposited coke. After the fourth consecutive regeneration cycle, satisfactory catalytic stability was observed, and the element distribution of spent catalysts almost returned to their initial state, with no detectable Pt sintering. This work provides new insights into designing active, stable, and regenerable novel PDH catalysts.

Simulation of mode transitions in capacitively coupled Ar/O2 plasmas

Abstract In this work, the effects of the frequency, pressure, gas composition, and secondary-electron emission coefficient on the discharge mode in capacitively coupled Ar/O2 plasmas were carefully studied through simulations. Three discharge modes α, γ, and drift-ambipolar (DA) were considered in this study. The α mode involves electron power absorption resulting from interactions between free electrons and the expanded plasma sheath; the γ mode is dominated by secondary-electron heating; and the DA mode is electron power absorption mainly produced by the drift electric field in the plasma region and the ambipolar electric field at the edge of the sheath. The results show that a mode transition from the γ-DA hybrid mode dominated by the γ mode to the DA-α hybrid mode dominated by the DA mode is induced by increasing the frequency from 100 kHz to 40 MHz. Furthermore, the electron temperature decreases with increasing frequency, while the plasma density first decreases and then increases. It was found that the electronegativity increases slightly with increasing pressure in the low-frequency region, and it increases notably with increasing pressure in the high-frequency region. It was also observed that the frequency corresponding to the mode transition from γ to DA decreased when the secondary-electron emission coefficient was decreased. Finally, it was found that increasing the oxygen content weakens the γ mode and enhances the DA mode. More importantly, the density of oxygen atoms and ozone will increase greatly with increasing oxygen content, which is of great significance for industrial applications.

Random pore model insights into structural and operational parameters for hydrogen-based iron oxide reduction

The hydrogen-based direct reduction of iron oxide (DRI) provides a sustainable approach to cleaner ironmaking. In this research, for analyzing hydrogen-based DRI in pellet scale, the random pore model (RPM), the most sophisticated non-catalytic gas-solid model, is applied to determine the effects of structural parameters, including pore-size parameter (ψ), Thiele modulus (ϕ), and product layer resistance (β), along with operational parameters such as pressure, temperature, and gas composition. The PDE equations of RPM were solved numerically using the method of lines together with a finite-difference discretization in space. The effects of parameters ψ and ϕ were investigated, revealing that the reaction rate increases with larger pores and decreases with higher values of ϕ over length and time. Kinetics resemble the unreacted shrinking core model (USCM) for small particles, while pore structure dominates for large particles. Parameter determination is influenced by ϕ changes, shifting control from chemical kinetics to diffusion, with operating conditions impacting reaction rate enhancement. Investigations revealed that as ϕ increases from 0.454 to 1.454, a 6 % conversion gradient forms from the pellet center to the surface. Additionally, at 700°C, reducing the temperature by 100°C slows conversion by 15.45 minutes while increasing it accelerates conversion by 4.55 minutes.

Impact of fuel starvation–induced anode carbon corrosion in proton exchange membrane fuel cells on the structure of the membrane electrode assembly and exhaust gas emissions: A quantitative case study

Although the durability of proton exchange membrane fuel cells (PEMFCs) is crucial for their broad commercial applications, current durability assessments do not encompass all operational scenarios. Startup/shut-down (SUSD) are among the most significant degradation factors in the city. To bridge this gap, we examine the phenomenon of fuel starvation, which leads to the rapid and irreversible degradation of PEMFC performance, particularly during SUSD, but has not been independently examined in the context of PEMFC durability. A quantitative methodology is used to analyze anode carbon corrosion and establish correlations with critical parameters under fuel starvation conditions. In particular, we quantify carbon loss based on (i) the composition or amount of the anode outlet gas emitted under such conditions and (ii) changes in the anode thickness at three distinct locations. The corresponding carbon losses due to 10 min of fuel starvation ((i): 212.0 μg cm−2, (ii): 189.6 ± 12.9 μg cm−2) agree well with each other. The largest decrease in the anode thickness (81.3 %) is observed near the outlet. The obtained insights provide guidance for the design of high-performance PEMFCs and the development of protective measures against the detrimental effects of fuel starvation.

A hierarchal model for bacterial cell inactivation in solution by direct and indirect treatment using cold atmospheric plasmas

Cold atmospheric plasma devices have shown promise for a variety of plasma medical applications, including wound healing and bacterial inactivation often performed in liquids. In the latter application, plasma-produced reactive oxygen and nitrogen species (RONS) interact with and damage bacterial cells, though the exact mechanism by which cell damage occurs is unclear. Computational models can help elucidate relationships between plasma-produced RONS and cell killing by enabling direct comparison between dissimilar plasma devices and by examining the effects of changing operating parameters in these devices. In biological applications, computational models of plasma-liquid interactions would be most effective in design and optimization of plasma devices if there is a corresponding prediction of the biological outcome. In this work, we propose a hierarchal model for planktonic bacterial cell inactivation by plasma produced RONS in liquid. A previously developed reaction mechanism for plasma induced modification of cysteine was extended to provide a basis for cell killing by plasma-produced RONS. Results from the model are compared to literature values to provide proof of concept. Differences in time to bacterial inactivation as a function of plasma operating parameters including gas composition and plasma source configuration are discussed. Results indicate that optimizing gas-phase reactive nitrogen species production may be key in the design of plasma devices for disinfection.

Methane gas in breath test is associated with non-alcoholic fatty liver disease

Although the associations between a patient’s body mass index (BMI) and metabolic diseases, as well as their breath test results, have been studied, the relationship between breath hydrogen/methane levels and metabolic diseases needs to be further clarified. We aimed to investigate how the composition of exhaled breath gases relates to metabolic disorders, such as diabetes mellitus, dyslipidemia, hypertension, and nonalcoholic fatty liver disease (NAFLD), and their key risk factors. An analysis was performed using the medical records, including the lactulose breath test (LBT) data of patients who visited the Ajou University Medical Center, Suwon, Republic of Korea, between January 2016 and December 2021. The patients were grouped according to four different criteria for LBT hydrogen and methane levels. Of 441 patients, 325 (72.1%) had positive results for methane only (hydrogen < 20 parts per million [ppm] and methane ⩾ 3 ppm). BMIs and NAFLD prevalence were higher in patients with only methane positivity than in patients with hydrogen and methane positivity (hydrogen ⩾ 20 ppm and methane ⩾ 3 ppm). According to a multivariate analysis, the odds ratio of only methane positivity was 2.002 (95% confidence interval [CI]: 1.244–3.221, P = 0.004) for NAFLD. Our results demonstrate that breath methane positivity is related to NAFLD and suggest that increased methane gas on the breath tests has the potential to be an easily measurable biomarker for NAFLD diagnosis.

A study of tiamulin removal by nanosecond pulsed gas–liquid discharge underwater

AbstractIn this study, gas–liquid discharge plasma excited by nanosecond pulsed voltage is used to efficiently remove tiamulin (TIA) from water. The discharge produces a large number of reactive species (H2O2, OH radicals, NO3−, etc.) that can attack the TIA molecules. The effects of peak pulse voltage, initial TIA concentration, gas composition, and the addition of ferrous sulfate and persulfate on TIA removal were mainly investigated. The results showed that the oxygen plasma could approach 100% removal within 30 min of treatment time. The addition of the catalyst increased the TIA removal efficiency by approximately 15% during the 10‐min discharge treatment time. The toxicity of 12 intermediates was analyzed and the degradation mechanism of TIA was investigated.

Density-Driven CO2 Dissolution in Depleted Gas Reservoirs with Bottom Aquifers

Depleted gas reservoirs with bottom water show significant potential for long-term CO2 storage. The residual gas influences mass-transfer dynamics, further affecting CO2 dissolution and convection in porous media. In this study, we conducted a series of numerical simulations to explore how residual-gas mixtures impact CO2 dissolution trapping. Moreover, we analyzed the CO2 dissolution rate at various stages and delineated the initiation and decline of convection in relation to gas composition, thereby quantifying the influence of residual-gas mixtures. The findings elucidate that the temporal evolution of the Sherwood number observed in the synthetic model incorporating CTZ closely parallels that of the single-phase model, but the order of magnitude is markedly higher. The introduction of CTZ serves to augment gravity-induced convection and expedites the dissolution of CO2, whereas the presence of residual-gas mixtures exerts a deleterious impact on mass transfer. The escalation of residual gas content concomitantly diminishes the partial pressure and solubility of CO2. Consequently, there is an alleviation of the concentration and density differentials between saturated water and fresh water, resulting in the attenuation of the driving force governing CO2 diffusion and convection. This leads to a substantial reduction in the rate of CO2 dissolution, primarily governed by gravity-induced fingering, thereby manifesting as a delay in the onset and decay time of convection, accompanied by a pronounced decrement in the maximum Sherwood number. In the field-scale simulation, the injected CO2 improves the reservoir pressure, further pushing more gas to the producers. However, due to the presence of CH4 in the post-injection process, the capacity for CO2 dissolution is reduced.

Fluid models calculation of Ar/CF4 radiofrequency capacitively coupled plasmas

A fluid model is used to calculate plasma density in radiofrequency capacitively coupled plasmas (RF-CCPs), assuming geometrically symmetric Ar/CF4. Electrodes are powered by a 200 V sinusoidal wavefront at 13.56 MHz. The gap between the electrodes is 5 cm. The plasma species density is calculated as a function of the gas pressure, electron temperature, and gas composition. As expected from recent experiments, CF3+ and F are dominant for all simulation parameters (Plasma Chemistry and Plasma Processing, 2022; 42: 989-1002, 2013 Pulsed Power Conference (PPC), 19th IEEE, DOI:10.1109/PPC.2013.6627595). The results explain the pathways to perform atomic layer etching and nanolayer deposition processes. In order to reveal the effect of electron heating on the discharge dynamics, the spatiotemporal electron energy equation is coupled with the fluid model. Tailoring the driven potential has been found to control the concentration of some plasma species. When the plasma is driven by the fundamental frequency, ohmic and stochastic heating allow electrons to be heated symmetrically. Higher harmonics give rise to an electrical asymmetry and an electron heating asymmetry between the powered and grounded sheaths. The electron temperature depends on the driven harmonics; it adjusts gain and loss rates and some plasma species densities.

Correction of the cracking mechanism ratio in catalytic cracking process to characterize the thermal cracking reaction and realize highly sensitive identification of catalysts

AbstractIn this work, we have specially carried out the catalytic cracking experiments of heavy distillate oil in the high temperature range of 500~700°C. The composition of dry gas generated in the catalytic cracking process was analyzed, with emphasis on the variation of yield of C1 and C2 products. Two cracking mechanism ratios (CMRs) were redefined by replacing the (C1 + C2) products in the traditional definition of CMR with CH4, and the feasibility of using them to characterize the thermal cracking reaction in the catalytic cracking process in the high temperature range was investigated. The results showed that CH4 was more sensitive to temperature than (C1 + C2) and it was feasible and more accurate to use CH4 instead of (C1 + C2) corrected R3 to characterize the thermal cracking reaction in the catalytic cracking process in the high temperature range. In addition, it was found that the corrected R3 had the effect of distinguishing and identifying catalysts.

Study on the characteristics and predictive model of autoignition induced by shock wave from high-pressure hydrogen leakage

Faced with climate change and increasing environmental pollution, countries around the world are actively exploring strategies for clean, renewable energy. However, under high-pressure conditions, hydrogen leaks can lead to spontaneous combustion, which significantly raises the safety risk of hydrogen applications. This study employs fluid dynamic simulation methods to investigate the development process of shock waves within tubes. It analyzes the effect of release conditions on the propagation speed and shock wave intensity, revealing the impact of shock wave intensity on the temperature distribution and gas composition variation within the hydrogen-air mixture boundary layer. The results show that the tube length and bends have relatively little impact on the shock waves, while discharge pressure and tube diameter significantly affect the propagation speed and intensity of shock waves. Combined with dimensional analysis and data fitting, a predictive model for autoignition of high-pressure hydrogen leakage is established: (Pr/Pa)((DXrx(H₂)rO₂))/Vs2) = 1505(X/D)−1.329.

Fundamental insights into multistep depressurization of CH4/CO2 hydrates in the presence of N2 or air

Exploitation of natural gas hydrates provides an alternative way to address energy crisis. Dilute CO2 gas (13–30mol%CO2 with remaining N2/Air) injection into CH4 hydrates for hydrate swapping (SW) allows cheaper and more practical CH4 recovery and in-situ CO2 sequestration. However, the roles of N2/Air in dilute CO2 gas during exploitation remain unknown. It is unclear whether depressurization should be coupled after SW and continued below CH4 hydrate stability pressure. This work employed multistep depressurization (MD) to dissociate the mixed hydrates formed after SW from 86.5 to 97.9 bar at 0.7–1.2 °C in bulk-water and sandpack with CH4 hydrate saturation of 4.1–25.3 %. Effects of N2/Air on exploitation were investigated by examining hydrate morphologies and gas compositions. Morphological results in bulk-water indicated higher N2 fraction in 20mol%CO2/N2 triggered more CO2-rich hydrate reformation and CH4-rich hydrate dissociation. Exploitation results in sandpack indicated 13mol%CO2/N2 produced the highest CH4 swapping percent (46.6 %) and CO2 hydrate sequestration percent (29.1 %). Air exerted weaker promoting effects on exploitation compared with equivalent N2. The promotion of N2/Air on exploitation was dominated by dilute CO2 gas injection altering mixed hydrate equilibrium which varied with time-dependent gaseous compositions during MD. l-methionine of 3000 ppm had stronger promoting effects on CO2 sequestration in sandpack than bulk-water depending on mass transfer and water availability. Ceasing points (13.9–31.4 bar) suggested MD could be continued below CH4/above CO2 hydrate stability pressures and before water production. For the first time, this study provided insights into the roles of N2/Air to determine injection gas types and depressurization schemes for efficient and safe hydrate exploitation in gas-rich hydrate-bearing sediment.

Multipressure Sampling for Improving the Performance of MOF-based Electronic Noses.

Metal-organic frameworks (MOFs) are a promising class of porous materials for the design of gas sensing arrays, which are often called electronic noses. Due to their chemical and structural tunability, MOFs are a highly diverse class of materials that align well with the similarly diverse class of volatile organic compounds (VOCs) of interest in many gas detection applications. In principle, by choosing the right combination of cross-sensitive MOFs, layered on appropriate signal transducers, one can design an array that yields detailed information about the composition of a complex gas mixture. However, despite the vast number of MOFs from which one can choose, gas sensing arrays that rely too heavily on distinct chemistries can be impractical from the cost and complexity perspective. On the other hand, it is difficult for small arrays to have the desired selectivity and sensitivity for challenging sensing applications, such as detecting weakly adsorbing gases with weak signals, or conversely, strongly adsorbing gases that readily saturate MOF pores. In this work, we employed gas adsorption simulations to explore the use of a variable pressure sensing array as a means of improving both sensitivity and selectivity as well as increasing the information content provided by each array. We studied nine different MOFs (HKUST-1, IRMOF-1, MgMOF-74, MOF-177, MOF-801, NU-100, NU-125, UiO-66, and ZIF-8) and four different gas mixtures, each containing nitrogen, oxygen, carbon dioxide, and exactly one of the hydrogen, methane, hydrogen sulfide, or benzene. We found that by lowering the pressure, we can limit the saturation of MOFs, and by raising the pressure, we can concentrate weakly adsorbing gases, in both cases, improving gas detection with the resulting arrays. In many cases, changing the system pressure yielded a better improvement in performance (as measured by the Kullback-Liebler divergence of gas composition probability distributions) than including additional MOFs. We thus demonstrated and quantified how sensing at multiple pressures can increase information content and cross-sensitivity in MOF-based arrays while limiting the number of unique materials needed in the device.

Composition tracking of natural gas–hydrogen mixtures in pipeline flow using high-resolution schemes

A transient pipeline flow model with gas composition tracking is solved for studying the operation of a natural gas pipeline under nonisothermal flow conditions in a hydrogen injection scenario. Two approaches to high-resolution pipeline flow modeling based on the WENO scheme are presented and compared with the implicit finite difference method. The high-resolution models are capable of capturing fast fluid transients and tracking the step changes in the composition of the transported mixture. The implicit method assumes the decoupling of the flow model components in order to enhance calculation efficiency. The validation of the composition tracking results against actual gas transmission pipeline indicates that both models exhibit good prediction performance, with normalized root mean square errors of 0.406% and 1.48%, respectively. Under nonisothermal flow conditions, the prediction response of the reduced model against a high-resolution flow model, with respect to the mass and energy linepack, is at most 3.20%.

Elimination of Intestinal Hypoxia in Complex Treatment of Intestinal Failure (Case Report)

INTRODUCTION: Currently, various approaches to the treatment of intestinal failure (IF) are considered. In search for pathogenetically justified therapy, it is possible to use oxygenated saline enteral solution (OSES). АIM: To demonstrate, by gas analysis of the introduced oxygenated saline enteral solution and the excreted intestinal fluid, the possibility of gas exchange in the intestine with increased oxygen extraction under hypoxic conditions. An 8-year-old child with burdened premorbid history and severe community–acquired bilateral pleuropneumonia kept on mechanical ventilation, had signs of IF (disorder in passage, absence of independent defecation for more than two days). During treatment and observation of the child, enteral feeding was attempted with pharmacological stimulation with prokinetics, and introduction of laxative sorbent with prebiotic effect (lactulose). Because of non-effectiveness of these measures, it was decided to perform intestinal lavage with OSES introduced through the nasogastral tube. In 30 minites after start of OSES introduction, the gastrointestinal tract motility notably enhanced, in 1.5 hour from the beginning of the procedure, fractional passage of a significant amount of thick fecal masses was noted, after which intestinate — liquid stool stained yellow with bile, was obtained. During the procedure, a comparative analysis of the gas composition of the introduced OSES and excreted intestinate was done. In the excreted solution, 97-fold decrease of рО2 from 659 to 6.8 mm Hg, and 3.6-fold increase in CO2 tension from 23 to 85.7 mm Hg, were noted. CONCLUSION: Oxygenation of the enteral environment by barbotage of a saline enteral solution introduced through a tube is an effective component of intensive therapy for intestinal failure syndrome, taking into account the ability of the gastrointestinal tract tissues to actively participate in gas exchange: extract oxygen and release carbon dioxide.

Elimination of Intestinal Hypoxia in Complex Treatment of Intestinal Failure (Case Report)

INTRODUCTION: Currently, various approaches to the treatment of intestinal failure (IF) are considered. In search for pathogenetically justified therapy, it is possible to use oxygenated saline enteral solution (OSES). АIM: To demonstrate, by gas analysis of the introduced oxygenated saline enteral solution and the excreted intestinal fluid, the possibility of gas exchange in the intestine with increased oxygen extraction under hypoxic conditions. An 8-year-old child with burdened premorbid history and severe community–acquired bilateral pleuropneumonia kept on mechanical ventilation, had signs of IF (disorder in passage, absence of independent defecation for more than two days). During treatment and observation of the child, enteral feeding was attempted with pharmacological stimulation with prokinetics, and introduction of laxative sorbent with prebiotic effect (lactulose). Because of non-effectiveness of these measures, it was decided to perform intestinal lavage with OSES introduced through the nasogastral tube. In 30 minites after start of OSES introduction, the gastrointestinal tract motility notably enhanced, in 1.5 hour from the beginning of the procedure, fractional passage of a significant amount of thick fecal masses was noted, after which intestinate — liquid stool stained yellow with bile, was obtained. During the procedure, a comparative analysis of the gas composition of the introduced OSES and excreted intestinate was done. In the excreted solution, 97-fold decrease of рО2 from 659 to 6.8 mm Hg, and 3.6-fold increase in CO2 tension from 23 to 85.7 mm Hg, were noted. CONCLUSION: Oxygenation of the enteral environment by barbotage of a saline enteral solution introduced through a tube is an effective component of intensive therapy for intestinal failure syndrome, taking into account the ability of the gastrointestinal tract tissues to actively participate in gas exchange: extract oxygen and release carbon dioxide.

Pyrolysis of wheat straw pellets in a pilot‐scale reactor: Effect of temperature and residence time

AbstractPyrolysis of two types of pellets (T1: 100% wheat straw, and T2: 70% wheat straw; 10% sawdust, 10% biochar, and 10% bentonite clay) was performed in a pilot‐scale reactor under a nitrogen environment at 20°C to 700°C. This was to investigate slow pyrolysis yields and gas composition as a function of temperature and residence time. The experimental data were obtained between 300°C and 600°C, with a residence time of 90 min, a nitrogen flow rate of 50 cm3/min, and a heating rate of 20°C/min. The results indicated that the maximum pyrolysis temperature is 605°C with a residence time of 55 min. The product analysis showed that the proportion of gas was higher than that of biochar and bio‐oil. The conversion efficiency increased with higher temperatures and varied between 66% and 76%. The results showed that carbon dioxide was the main component in the produced gas, and the maximum gas concentration was 63.6% at 300°C for T1. The higher temperature and longer residence time increased the syngas (CO + H2) composition for both T1 and T2 treatments. Nevertheless, the produced biochar had a high carbon content and retained a high calorific value, indicating slow pyrolysis is the ideal utilization route of wheat straw pellet biomass for biochar.

Theoretical study on gas‐phase reactions during chemical vapor deposition of TixAl1–xN from TiCl4, AlCl3, and NH3

AbstractFcc‐TixAl1–xN (TiAlN) coatings synthesized via chemical vapor deposition (CVD) reduce cutting tool wear. Although CVD conditions reportedly influence coating quality, no quantitative guidelines are yet available. To quantitatively study the film‐forming mechanism of TiAlN CVD, the gas composition over the surface must be known. Therefore, we developed a gas‐phase elementary reaction model for TiAlN CVD derived from TiCl4/AlCl3/NH3. First, we constructed a novel thermodynamic dataset including molecules that contained both Ti and Al, and calculated the equilibrium composition. Thermal equilibrium calculations in the gas phase showed that the most stable species were AlCl3 and TiCl3 rather than TiCl4. An elementary reaction model was constructed based on the kinetics of the gas‐phase species that were generated. Kinetic analysis revealed that gas‐phase reactions were largely absent under our reactor conditions. The thermal equilibrium calculations indicated that TiCl4 may have given rise to TiCl3. Thus, other reaction pathways of TiCl4 to TiCl3 were explored. We calculated the reaction rate constants of 12 reactions of Ti species and added them to the model, which revealed that TiCl4 decomposed to TiCl3 via TiCl3NH2. Under our conditions, TiCl4 and TiCl3NH2 are the major Ti species and AlCl3 and AlCl2NH2 are the major Al species, which suggests that some of these species may form films. Unlike in the earlier reaction model, NH2 and H radicals were produced, which may have contributed to the surface reactions. For reactors with large Surface/Volume ratio of reactor, the effects of gas‐phase reactions should be considered. Our reaction model enables estimation of the partial pressures of reactor gas species and will therefore aid study of the TiAlN deposition mechanism.

Pyrolysis of wheat straw pellets in a pilot‐scale reactor: Effect of temperature and residence time

AbstractPyrolysis of two types of pellets (T1: 100% wheat straw, and T2: 70% wheat straw; 10% sawdust, 10% biochar, and 10% bentonite clay) was performed in a pilot‐scale reactor under a nitrogen environment at 20°C to 700°C. This was to investigate slow pyrolysis yields and gas composition as a function of temperature and residence time. The experimental data were obtained between 300°C and 600°C, with a residence time of 90 min, a nitrogen flow rate of 50 cm3/min, and a heating rate of 20°C/min. The results indicated that the maximum pyrolysis temperature is 605°C with a residence time of 55 min. The product analysis showed that the proportion of gas was higher than that of biochar and bio‐oil. The conversion efficiency increased with higher temperatures and varied between 66% and 76%. The results showed that carbon dioxide was the main component in the produced gas, and the maximum gas concentration was 63.6% at 300°C for T1. The higher temperature and longer residence time increased the syngas (CO + H2) composition for both T1 and T2 treatments. Nevertheless, the produced biochar had a high carbon content and retained a high calorific value, indicating slow pyrolysis is the ideal utilization route of wheat straw pellet biomass for biochar.

Vapor pressure of tetrasubstituted metal phthalocyanines bearing fluorine substituents in non-peripheral positions

In this paper, the temperature dependence of the saturated vapor pressure of fluorosubstituted phthalocyanines with substituents in non-peripheral positions of the macroring, viz. MPcF4-np, M=Cu, Fe, Co, VO, was investigated by the Knudsen effusion method with mass spectrometric registration of the gaseous phase composition. The standard thermodynamic parameters [Formula: see text]°[Formula: see text] and [Formula: see text]°[Formula: see text] of the sublimation process of these compounds were determined. The results were compared with the vapor pressure of the corresponding MPcF4-p analogs bearing F-substituents in the peripheral positions. It was shown that the volatility decreased in the order of VOPcF4-np &gt; CoPcF4-np ∼ CuPcF4-np ∼ FePcF4-np &gt; ZnPcF4-np, which correlated with the increase in their crystal lattice energy in the same order. The volatility of most MPcF4-np (M = Cu, Zn, Co, VO) was lower than that of MPcF4-p. The results were analyzed from the point of view of crystal packing and intermolecular interactions in the crystal.