AtChem (version 1), an open-source box model for the Master Chemical Mechanism

AtChem is an open-source zero-dimensional box model for atmospheric chemistry. Any general set of chemical reactions can be used with AtChem, but the model was designed specifically for use with the Master Chemical Mechanism (MCM, http://mcm.york.ac.uk/, last access: 16 January 2020). AtChem was initially developed within the EUROCHAMP project as a web application (AtChem-online, https://atchem.leeds.ac.uk/webapp/, last access: 16 January 2020) for modelling environmental chamber experiments; it was recently upgraded and further developed into a stand-alone offline version (AtChem2), which allows the user to run complex and long simulations, such as those needed for modelling of intensive field campaigns, as well as to perform batch model runs for sensitivity studies. AtChem is installed, set up and configured using semi-automated scripts and simple text configuration files, making it easy to use even for inexperienced users. A key feature of AtChem is that it can easily be constrained to observational data which may have different timescales, thus retaining all the information contained in the observations. Implementation of a continuous integration workflow, coupled with a comprehensive suite of tests and version control software, makes the AtChem code base robust, reliable and traceable. The AtChem2 code and documentation are available at https://github.com/AtChem/ (last access: 16 January 2020) under the open-source MIT License

Trends and emissions of six perfluorocarbons in the Northern Hemisphere and Southern Hemisphere

Perfluorocarbons (PFCs) are potent greenhouse gases with global warming potentials up to several thousand times greater than CO2 on a 100-year time horizon. The lack of any significant sinks for PFCs means that they have long atmospheric lifetimes of the order of thousands of years. Anthropogenic production is thought to be the only source for most PFCs. Here we report an update on the global atmospheric abundances of the following PFCs, most of which have for the first time been analytically separated according to their isomers: c-octafluorobutane (c-C4F8), n-decafluorobutane (n-C4F10), n-dodecafluoropentane (n-C5F12), n-tetradecafluorohexane (n-C6F14), and n-hexadecafluoroheptane (n-C7F16). Additionally, we report the first data set on the atmospheric mixing ratios of perfluoro-2-methylpentane (i-C6F14). The existence and significance of PFC isomers have not been reported before, due to the analytical challenges of separating them. The time series spans a period from 1978 to the present. Several data sets are used to investigate temporal and spatial trends of these PFCs: time series of air samples collected at Cape Grim, Australia, from 1978 to the start of 2018; a time series of air samples collected between July 2015 and April 2017 at Tacolneston, UK; and intensive campaign-based sampling collections from Taiwan. Although the remote “background” Southern Hemispheric Cape Grim time series indicates that recent growth rates of most of these PFCs are lower than in the 1990s, we continue to see significantly increasing mixing ratios that are between 6 % and 27 % higher by the end of 2017 compared to abundances measured in 2010. Air samples from Tacolneston show a positive offset in PFC mixing ratios compared to the Southern Hemisphere baseline. The highest mixing ratios and variability are seen in air samples from Taiwan, which is therefore likely situated much closer to PFC sources, confirming predominantly Northern Hemispheric emissions for most PFCs. Even though these PFCs occur in the atmosphere at levels of parts per trillion molar or less, their total cumulative global emissions translate into 833 million metric tonnes of CO2 equivalent by the end of 2017, 23 % of which has been emitted since 2010. Almost two-thirds of the CO2 equivalent emissions within the last decade are attributable to c-C4F8, which currently also has the highest emission rates that continue to grow. Sources of all PFCs covered in this work remain poorly constrained and reported emissions in global databases do not account for the abundances found in the atmosphere

Investigation of East Asian emissions of CFC-11 using atmospheric observations in Taiwan

Recent findings of an unexpected slowdown in the decline of CFC-11 mixing ratios in the atmosphere have led to the conclusion that global CFC-11 emissions have increased over the past decade and have been attributed in part to eastern China. This study independently assesses these findings by evaluating enhancements of CFC-11 mixing ratios in air samples collected in Taiwan between 2014 and 2018. Using the NAME (Numerical Atmospheric Modeling Environment) particle dispersion model, we find the likely source of the enhanced CFC-11 observed in Taiwan to be East China. Other halogenated trace gases were also measured, and there were positive interspecies correlations between CFC-11 and CHCl3, CCl4, HCFC-141b, HCFC-142b, CH2Cl2, and HCFC-22, indicating co-location of the emissions of these compounds. These correlations in combination with published emission estimates of CH2Cl2 and HCFC-22 from China, and of CHCl3 and CCl4 from eastern China, are used to estimate CFC-11 emissions. Within the uncertainties, these estimates do not differ for eastern China and the whole of China, so we combine them to derive a mean estimate that we term as being from "(eastern) China". For 2014-2018, we estimate an emission of 19 ± 5 Gg year-1 (gigagrams per year) of CFC-11 from (eastern) China, approximately one-quarter of global emissions. Comparing this to previously reported CFC-11 emissions estimated for earlier years, we estimate CFC-11 emissions from (eastern) China to have increased by 7 ± 5 Gg year-1 from the 2008-2011 average to the 2014-2018 average, which is 50 ± 40% of the estimated increase in global CFC-11 emissions and is consistent with the emission increases attributed to this region in an earlier study

Enhanced chlorinated very short-lived substances in South East Asia:Potential source regions and source types

Enhancements of the mixing ratios of short-lived halogenated gases were observed in air samples collected at Bachok Marine Research Station (BMRS), Peninsular Malaysia during Northern Hemisphere winters in 2013/2014 and 2015/2016. This study investigates the potential source regions and source types that influenced the variability in chlorinated very short-lived substances (Cl-VSLS) [dichloromethane, 1,2-dichloroethane, trichloromethane, tetrachloroethene] and methyl halides [methyl chloride and methyl bromide]. The UK Met Office’s Numerical Atmospheric Modelling Environment (NAME) dispersion model, was used for tracking the origin of air masses arriving at BMRS. For the purpose of identifying possible sources of these compounds, carbon monoxide (CO) emission data taken from the Representative Concentration Pathway 8.5 were used along with NAME footprints to calculate modelled CO mixing ratios. A correlation analysis between the mixing ratios of measured compounds and the modelled CO from various emission sectors was perform to assess the extent to which emission sectors might be related to the mixing ratios of halogenated gases. The results show that the events of higher mixing ratios were associated with air masses, especially from East China. During the 2013/2014 campaign, the modelled CO from industrial, solvents and agriculture (waste burning on fields) were significantly correlated with the mixing ratios of Cl-VSLS (R > 0.7) and methyl halides (R > 0.40). During the 2015/2016 campaign, the strength of these correlations reduced for Cl-VSLS (R > 0.5) and with no significant correlations for methyl halides. Instead, mixing ratios of methyl halides were correlated (R=0.4) with modelled CO from forest burning. This work provides evidence that East and South East Asia act as important sources of halogenated gases. This is of significant given the proximity of these regions to prevalent deep convection which can rapidly transport these halogen-containing gases into the stratosphere and impact the ozone layer

Assessing the impact of regional and local air pollution in East Asia using dispersion modelling

Air pollution is a major problem across the world with more than 90% of the world’s population living in places exceeding the air quality guidelines specified by the World Health Organisation. Transport of air pollution plays a key role in determining the relative influence of local emissions and regional contributions to observed air pollution.This thesis has investigated the effects of air pollution in Beijing and two islands in South Korea from regional and local sources to understand the impacts of regional meteorology on the transport of pollution in East Asia, through a series of novel and upgraded approaches. Furthermore, a set of policy suggestions were derived to help improve the air quality in the region.The dispersion model Numerical Atmospheric-dispersion Environment (NAME), was used to evaluate the history of the air mass pathways arriving at the receptor sites. The distribution of air masses over specific regions before arriving at the sites was calculated through an upgraded technique that can be adapted anywhere in the world.By combining the NAME backward footprints with emission inventories it was possible to calculate the CO concentrations at the sites. In Beijing, it was determined that the contributions from sources located outside of Beijing have a major impact on the CO levels in the city accounting for approximately 46% of the CO in Beijing over five years. Additionally, it was revealed that the CO emitted in China contributed 50 – 59% of the CO air pollution at two South Korean islands. A novel analysis and maping technique was developed in QGIS, to calculate the air pollution contributions at a site on a grid cell by grid cell basis.Last but not least, the effects of chemistry on the VOC concentrations in Beijing were investigated by combining the NAME footprints, emission inventories and a chemical box model (AtChem2), to reveal the changes in the VOCs during different air pollution scenarios.</div

Nucleus accumbens D1-receptors regulate and focus transitions to reward-seeking action

It is well established that dopamine transmission is integral in mediating the influence of reward expectations on reward-seeking actions. However, the precise causal role of dopamine transmission in moment-to-moment reward-motivated behavioral control remains contentious, particularly in contexts where it is necessary to refrain from responding to achieve a beneficial outcome. To examine this, we manipulated dopamine transmission pharmacologically as rats performed a Go/No-Go task that required them to either make or withhold action to gain either a small or large reward. D1R Stimulation potentiated cue-driven action initiation, including fast impulsive actions on No-Go trials. By contrast, D1R blockade primarily disrupted the successful completion of Go trial sequences. Surprisingly, while after global D1R blockade this was characterized by a general retardation of reward-seeking actions, nucleus accumbens core (NAcC) D1R blockade had no effect on the speed of action initiation or impulsive actions. Instead, fine-grained analyses showed that this manipulation decreased the precision of animals’ goal-directed actions, even though they usually still followed the appropriate response sequence. Strikingly, such “unfocused” responding could also be observed off-drug, particularly when only a small reward was on offer. These findings suggest that the balance of activity at NAcC D1Rs plays a key role in enabling the rapid activation of a focused, reward-seeking state to enable animals to efficiently and accurately achieve their goal

(Figure 06) Cloud condensation nuclei concentrations (first season)

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