Article
Biochemistry & Molecular Biology
Jiahuan Zheng, Xia Chen, Yan Wang, Qichao Sun, Wenting Sun, Lianying Wu, Yangdong Hu, Weitao Zhang
Summary: In this work, the concept of considering (partial derivative p/partial derivative x)(T, x -> 0) as an infinite dilution thermodynamic function is proposed. The relation between (partial derivative p/partial derivative x)(T, x -> 0) and temperature is derived and used to correlate isothermal vapor-liquid equilibrium data. The model shows good agreement with experimental data. Additionally, an equation for (partial derivative p/partial derivative x)(T, x -> 0) and gas solubility at high pressure is proposed and successfully applied to literature data.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Environmental Sciences
Alexander Schwardt, Andreas Dahmke, Ralf Koeber
Summary: In urban areas, the potential for uncontrolled contaminant mobilization by volatilization due to subsurface temperature increases induced by HT-UTES or UHI is a concern. However, the volatilization of VOC is a process utilized in thermal remediation approaches, leading to discussions on combining contaminant remediation with UTES. Research has shown the need for further measurements of H values for at least 24 pollutants above 40 degrees Celsius, with the EPICS method providing high data quality and improving the assessment of VOC volatilization behavior at elevated temperatures.
Article
Chemistry, Physical
Javid Safarov, Gulyaz Abdullayeva, Mahir Bashirov, Dirk Tuma, Rasim Bashirov
Summary: The solubility data of carbon dioxide (CO2) in the ionic liquid [EMIM][CH3SO3] were reported at various temperatures and pressures, showing a monotonic decrease in solubility with increasing temperature. The study calculated Henry's law constant and thermodynamic state properties derived from it, providing valuable insights into the solvation behavior of CO2 in the ionic liquid.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Green & Sustainable Science & Technology
Guang-Hu Liu, Li-Ting Deng, Ming-Ming Wen, Hao-Nan Cui, Jing-Yi Huang, Chen-Fei Wang, Hang-Yi Zhao, Chu-Ping Wang, Tian-Rui Chen
Summary: The concentration of dissolved carbon dioxide in seawater significantly impacts the formation of biogenic minerals in the seabed and plays a crucial role in the development of marine organisms. A new method called D.B.S/Henry's Law is introduced in this paper to indirectly determine the free carbon dioxide content in seawater. This method provides a new perspective for the determination of trace carbon dioxide concentration in seawater and has practical application value.
Article
Geochemistry & Geophysics
Laurette Piani, Yves Marrocchi, Lionel G. Vacher, Hisayoshi Yurimoto, Martin Bizzarro
Summary: Chondrites are rocky fragments of asteroids that formed in the early solar system at different times and distances. Water in different chondrite groups shows distinct D/H signatures, with the isotopic composition determined through in situ secondary ion mass spectrometry analyses. The study suggests that interactions between the protoplanetary disk and the molecular cloud played a major role in shaping the D/H signatures of water and organics in chondrites, rather than parent-body processes.
EARTH AND PLANETARY SCIENCE LETTERS
(2021)
Article
Environmental Sciences
Kumar Sarang, Krzysztof J. Rudzinski, Rafal Szmigielski
Summary: This review thoroughly covers research on green leaf volatiles in atmospheric chemistry context, discussing sources, in-plant synthesis, emission inventory data, properties, gas-phase and aqueous-phase reactions, multiphase and heterogeneous transformations, and their potential as a source of secondary organic aerosols (SOA). GLV are recognized as atmospheric trace compounds primarily existing in the gas phase with proven potential to contribute to the formation of SOA.
Article
Engineering, Environmental
Sina Keramati, Milad Ferdowsi, Seyed Morteza Zamir
Summary: The simultaneous biodegradation of n-hexane and methanol was studied in batch culture with the addition of silicone oil. The presence of oil improved the removal efficiency of n-hexane but decreased the removal efficiency of methanol. Statistical analysis and kinetic study provided insights into the optimal treatment conditions and reaction mechanisms for the biodegradation process.
PROCESS SAFETY AND ENVIRONMENTAL PROTECTION
(2021)
Article
Chemistry, Multidisciplinary
Shaoyuan Zhou, Bach T. Nguyen, John P. Richard, Ronald Kluger, Jiali Gao
Summary: This study reveals that the decarboxylation reactions of organic carboxylate compounds in aqueous and dimethylformamide solutions are influenced by solvent effects. A linear relationship was found between decarboxylation rates and Gibbs energies, suggesting diminishing recombination barriers in dimethylformamide. Protonation of carbanions by the solvent has large free energy barriers, allowing the competing exchange of isotope-labeled CO2 to be reversible in dimethylformamide. The intricate interplay of carbanion stability and solute-solvent interaction in decarboxylation and carboxylation could be beneficial in designing novel materials for CO2 capture.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Physical
Luis F. G. Martins, Alfredo J. Palace Carvalho, Pedro Morgado, Eduardo J. M. Filipe
Summary: The solubility of xenon in various n-alkanes and cycloalkanes was simulated using Monte Carlo methods, showing excellent agreement with experimental data. Temperature dependence of standard enthalpies of solvation for n-alkanes displayed maxima at similar reduced temperatures. Structural details of the solutions were also studied, revealing enrichment of methyl groups within xenon's first coordination sphere relative to methylene groups, particularly in longer n-alkanes.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Environmental Sciences
Marco Torre, Patrizio Tratzi, Maria Luisa Feo, Silvia Mosca, Ettore Guerriero, Valerio Paolini
Summary: Extractable denuders were designed to collect trace atmospheric semivolatile organic compounds with high volume samplers. The results showed that the denuder had good repeatability, sampling efficiency, and capacity. Additionally, the denuder measurements of analyte fractions were significantly higher compared to the conventional high volume sampler methods.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Materials Science, Multidisciplinary
Chuang Qiao, Mingna Wang, Long Hao, Xiahe Liu, Xiaolin Jiang, Xizhong An, Duanyang Li
Summary: The research found that NaCl deposition and temperature have significant effects on the corrosion evolution of SAC305 solder joints, with high NaCl deposition prolonging the corrosion process, high temperature accelerating evaporation and leading to thinner film formation, affecting the formation of corrosion product layer.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2021)
Article
Chemistry, Physical
Asma Grira, Cornelia Amarandei, Claudiu Roman, Oumaya Bejaoui, Nouha Aloui, Gisele El Dib, Cecilia Arsene, Iustinian G. Bejan, Romeo I. Olariu, Andre Canosa, Alexandre Tomas
Summary: The rate coefficients of the reaction between unsaturated alcohols and ozone were determined, and it was found that the rate coefficients depend strongly on the structure of the alcohols. Alkenols have relatively short lifetimes in the atmosphere but exhibit high reactivity with ozone.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Engineering, Chemical
Nicolas Hayer, Fabian Jirasek, Hans Hasse
Summary: This study introduces a new machine learning approach called matrix completion methods (MCMs) for predicting Henry's law constants H-ij. The predictive performance of MCMs is similar to that of the Predictive Soave-Redlich-Kwong equation-of-state (PSRK-EoS), but with wider applicability. Additionally, a hybrid method combining MCMs and PSRK-EoS in a Bayesian framework achieves unprecedented performance in predicting H-ij.
Article
Materials Science, Multidisciplinary
Karthik Balasubramanian, Sukriti Manna, Subramanian K. R. S. Sankaranarayanan
Summary: Elastic constants are used to describe the stiffness of materials and are computed using a linear relationship between stress and strain tensors in the limit of infinitesimal deformation. Calculating elastic constants at finite temperature is challenging due to fluctuations and thermal noise. In this study, we introduce Elastemp, a semi-automated workflow that obtains the quasi-harmonic elastic constants of materials as a function of temperature. The workflow integrates with electronic structure packages and is capable of estimating zero temperature elastic constants, thermal expansion coefficients, and temperature dependent elastic constants.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Chemistry, Applied
Guiteng Yao, Feifei Chen, Fapeng Yu, Xian Zhao
Summary: Rare-earth calcium oxyborate (RECOB) crystals, such as NdCOB, are multifunctional crystal materials. This study investigates the temperature dependent behaviors and coefficients of electro-elastic constants in NdCOB crystals. The results show minimal variation in relative dielectric permittivities and low temperature coefficients of frequency. Additionally, the study reveals the existence of zero temperature coefficient of frequency crystal cut in NdCOB crystals, indicating their potential usage in piezoelectric frequency devices over a wide temperature range.
JOURNAL OF RARE EARTHS
(2022)
Article
Spectroscopy
Yeming Xu, Pai Liu, Yunhong Zhang
Summary: Water content in atmospheric aerosols is crucial for understanding atmospheric chemistry and addressing environmental issues. FTIR spectroscopy is commonly used to quantify water content, but distortion in the OH stretching vibration band can affect accuracy. A new model for simulating FTIR absorption of water droplets was developed to address this issue.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Spectroscopy
Yunxia Wang, Lulu Song, Guangguo Wang, Hongyan Liu, Zhuanfang Jing, Yongquan Zhou, Fayan Zhu, Yunhong Zhang
Summary: The research investigated the existence of direct contact ion pairs (CIP) in magnesium nitrate solutions using Raman spectroscopy, molecular dynamics (MD) simulations, and density functional theory (DFT) calculations. The study revealed that solvent-shared ion pairs (SIPs) were dominant in dilute solutions, gradually transforming into CIPs as the concentration increased. As the concentration further increased, the CIP content decreased while the complexity of structures increased.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Environmental Sciences
Yeming Xu, Pai Liu, Shuaishuai Ma, Wenxiu Pei, Shufeng Pang, Yunhong Zhang
Summary: Understanding the efflorescence process of atmospheric aerosols is crucial for describing their phase transition dynamics. In this study, the efflorescence process of ammonium sulfate aerosol droplets mixed with water-soluble organic compounds (WSOCs) was investigated using ATR-FTIR spectroscopy. It was found that the addition of WSOCs lowers the characteristic efflorescence relative humidity, broadens the range, and reduces the crystallization ratio of the aerosol droplets. Sucrose and glycerol were observed to completely suppress crystallization at specific organic to inorganic ratios, suggesting the possibility of aerosols skipping efflorescence and transitioning into a glassy state at low humidity conditions.
ATMOSPHERIC ENVIRONMENT
(2022)
Article
Environmental Sciences
Na Wang, Yaxin Guo, Jiarong Li, Shufeng Pang, Yunhong Zhang
Summary: Water-soluble amino acids were found to play an important role in cloud condensation nuclei (CCN) material. The hygroscopic properties and phase states of ammonium nitrate (AN) mixed with glycine and alanine were investigated. The study revealed that amino acids could form mixed particles with AN and remain solid during hydration due to hydrogen bonding interaction.
ATMOSPHERIC ENVIRONMENT
(2022)
Article
Engineering, Environmental
Zhe Chen, Pai Liu, Weigang Wang, Xue Cao, Yu-Xin Liu, Yun-Hong Zhang, Maofa Ge
Summary: This study demonstrates that the uncatalyzed autoxidation of SO2 in aerosols, especially under high ionic strength and acidic conditions, can significantly accelerate the sulfate formation rate, which may contribute to the severe winter haze events in Beijing and North China Plain.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2022)
Article
Engineering, Environmental
Lin-Fang Li, Zhe Chen, Pai Liu, Yun-Hong Zhang
Summary: Accurately measuring the pH of atmospheric aerosols is crucial for understanding their impact on the environment and climate. However, current studies are limited to static measurements and do not capture the dynamic changes during atmospheric aging. In this study, a new technique using silver nanoparticles and Raman spectroscopy is introduced for continuous in situ pH measurement of aerosols. The results show that the depletion of ammonium continuously acidifies aerosol water over time, and the pH decay can be described by a universal exponential function. The ammonium depletion reaction is found to be a self-limiting process. This technique provides insights into the dynamic changes of aerosol acidity during complex atmospheric aging processes.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2022)
Article
Soil Science
Taiyan Yuan, Shuo Chen, Yunhong Zhang, Lingmei Ji, Biswanath Dari, Debjani Sihi, Dehua Xu, Zhiye Zhang, Zhengjuan Yan, Xinlong Wang
Summary: This study investigated the effects of APP and MAP on phosphorus transformation in a calcareous soil. The results showed that APP application significantly increased the extractable phosphorus in the soil and altered the distribution of phosphorus forms and microbial community structure. Soil pH was identified as a key factor in explaining these changes.
BIOLOGY AND FERTILITY OF SOILS
(2022)
Article
Environmental Sciences
Li Zhou, Ting Lei, Dongjuan Kang, Yucong Guo, Yunhong Zhang, Fumo Yang, Maofa Ge, Weigang Wang
Summary: Coal-derived fly ash is a major aerosol composition in the atmosphere. The heterogeneous uptake of hydrogen peroxide and sulfur dioxide on coal fly ash was studied, and the effects of temperature and mixing ratio on the uptake coefficients were analyzed. The presence of gaseous H2O2 appeared to enhance the ability of SO2 uptake on coal fly ash.
FRONTIERS IN ENVIRONMENTAL SCIENCE
(2022)
Article
Chemistry, Analytical
Baokun Huang, Qiannan Zhao, Chenglin Sun, Lin Zhu, Hong Zhang, Yunhong Zhang, Cunming Liu, Fabing Li
Summary: In this study, a simple and effective method was developed to enhance the signal of spontaneous Raman scattering from gases and liquids. By utilizing the principle of an integrating sphere, multiple pass actions of low-energy pump light and the collection of all Raman scattered light were achieved. The experimental results showed that our setup can significantly improve the detection limit for liquids compared to confocal Raman scattering spectroscopy.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Analytical
Xinbo Jing, Zhe Chen, Qishen Huang, Pai Liu, Yun-Hong Zhang
Summary: This study reports a technique for high spatiotemporal resolution pH measurement in microdroplets using spontaneous Raman spectroscopy. The results show that chloride depletion in the microdroplets leads to a continuous increase in pH, while a stable pH gradient exists within a single droplet. This technique provides a new method for precise pH measurement in aerosols.
ANALYTICAL CHEMISTRY
(2022)
Review
Meteorology & Atmospheric Sciences
Tong Zhu, Mingjin Tang, Meng Gao, Xinhui Bi, Junji Cao, Huizheng Che, Jianmin Chen, Aijun Ding, Pingqing Fu, Jian Gao, Yang Gao, Maofa Ge, Xinlei Ge, Zhiwei Han, Hong He, Ru-Jin Huang, Xin Huang, Hong Liao, Cheng Liu, Huan Liu, Jianguo Liu, Shaw Chen Liu, Keding Lu, Qingxin Ma, Wei Nie, Min Shao, Yu Song, Yele Sun, Xiao Tang, Tao Wang, Tijian Wang, Weigang Wang, Xuemei Wang, Zifa Wang, Yan Yin, Qiang Zhang, Weijun Zhang, Yanlin Zhang, Yunhong Zhang, Yu Zhao, Mei Zheng, Bin Zhu, Jiang Zhu
Summary: In the past 25 years, atmospheric chemistry research in China has grown rapidly, focusing on the concept of air pollution complexity. Over 24,000 papers on air pollution, authored or co-authored by Chinese scientists, were published in 2021. This paper reviews representative studies on various aspects of atmospheric chemistry in China, providing a starting point for understanding the field. The advances discussed in this paper have established a theoretical framework for air pollution, supported effective air pollution control policies in China, and created opportunities for education and career development.
ADVANCES IN ATMOSPHERIC SCIENCES
(2023)
Article
Environmental Sciences
Wen-Xiu Pei, Shuai-Shuai Ma, Zhe Chen, Yue Zhu, Shu-Feng Pang, Yun-Hong Zhang
Summary: This study investigates the heterogeneous uptake of NO2 by sodium acetate droplets under different NO2 concentrations and relative humidity conditions using micro-FTIR. The results show that the uptake coefficient of sodium acetate droplets is influenced by relative humidity and the volatility of acetate esters. Additionally, nitrite formation is observed during the heterogeneous uptake process, providing a new pathway for atmospheric nitrogen cycling and secondary nitrite aerosol formation.
JOURNAL OF ENVIRONMENTAL SCIENCES
(2023)
Article
Chemistry, Physical
Xinbo Jing, Zhe Chen, Xue Cao, Qishen Huang, Pai Liu, Yun-hong Zhang
Summary: Sulfate formation from SO2 during urban haze events in China is a complex process with the important contributions of regionally transported sea spray aerosols (SSAs) and transition-metal ions (TMI)-catalyzed reactions. The reaction kinetics of Mn2+-catalyzed SO2 oxidation in NaCl microdroplets were investigated, revealing a linear correlation between reaction rate and droplet radius. The saturation concentration for both Mn2+ and SO2 implied an upper limit for the SO2 uptake coefficient, which increased with high ionic strength but was constant at pH levels of 5 to 8. The uptake coefficient was significantly higher than that of the uncatalyzed autoxidation of SO2 and other mineral dust oxidation pathways.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Environmental Sciences
Xue Cao, Zhe Chen, Yu-Xin Liu, Xin-Bo Jing, Lin-Fang Li, Pai Liu, Yun-Hong Zhang
Summary: Sulfate aerosols are produced at a rapid rate in China's winter haze, and this is believed to be due to the heterogeneous conversion of SO2 in urban aerosols. A study conducted in levitated microdroplets has directly measured the Fe(III)-catalyzed SO2 conversion in aerosols and found that it is 2 to 3 decades faster than in bulk solutions. The reaction rate is proportional to the droplet surface area, indicating that the major reaction occurs at the air-water interface.
ENVIRONMENTAL SCIENCE-ATMOSPHERES
(2023)
Article
Environmental Sciences
Shuaishuai Ma, Qiong Li, Yunhong Zhang
Summary: In this study, the hygroscopic growth and chemical composition evolution of NaNO3 and DCAs mixtures were measured using ATR-FTIR and vacuum FTIR techniques. The results showed that the phase state of NaNO3, chemical composition, water activity, and HNO3 gas-phase diffusion play crucial roles in HNO3 release from nitrate and DCA mixtures.
ATMOSPHERIC CHEMISTRY AND PHYSICS
(2022)