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Item Open Access A data-driven approach to understanding online service access and technological energy injustice among minority ethnic communities(American Chemical Society, 2024-09-13) Guder, Mennan; Balta-Ozkan, NazmiyeIn the energy domain, various forms of injustice manifest, spanning distribution, production, access, environmental, economic, social, inter-generational, technological, cultural, and governance realms. This paper delves into the technological injustice regarding online service access by energy suppliers, specifically focusing on its impact on energy poverty among minority ethnic communities. The Ofgem Consumer Impacts of Market Conditions Survey Wave 3 Report highlights significant challenges within the energy market, particularly affecting minority ethnic communities. Despite initiatives to investigate legal services for minority ethnic communities, exploration of online service utilization remains inadequate, creating a significant gap in understanding. This paper proposes a comprehensive examination of online service usage and perceptions within minority ethnic communities to address this research gap. The proposed framework encompasses modules for survey construction, data analysis, Machine Learning (ML) integration, and Agent-Based Modelling (ABM) and simulation. Feature examination reveals correlations between accommodation type and online service satisfaction, influencing simulations. The ABM module simulates how changes in accommodation type affect online service satisfaction, with ML models predicting outcomes. Validation through empirical data and expert knowledge ensures model accuracy. This research contributes to understanding online service experiences, particularly for minority ethnic communities, aiming to empower researchers and service providers to address inequalities effectively. Future work involves expanding the ABM to incorporate threat modelling concepts, providing a tool for assessing and fortifying the security posture of online services for minority ethnic communities.Item Open Access Aquatic macrophytes in morphological and physiological responses to the nanobubble technology application for water restoration(American Chemical Society, 2020-12-04) Wang, Shuo; Liu, Yunsi; Lyu, Tao; Pan, Gang; Li, PanNanobubble technology, as an emerging and sustainable approach, has been used for remediation of eutrophication. However, the influence of nanobubbles on the restoration of aquatic vegetation and the mechanisms are unclear. In this study, the effect of nanobubbles at different concentrations on the growth of Iris pseudacorus (Iris) and Echinodorus amazonicus (Echinodorus) was investigated. The results demonstrated that nanobubbles can enhance the delivery of oxygen to plants, while appropriate nanobubble levels will promote plant growth, excess nanobubbles could inhibit plant growth and photosynthesis. The nanobubble concentration thresholds for this switch from growth promotion to growth inhibition were 3.45 × 107 and 1.23 × 107 particles/mL for Iris and Echinodorus, respectively. Below the threshold, an increase in nanobubble concentration enhanced plant aerobic respiration and ROS generations in plants, resulting in superior plant growth. However, above the threshold, high nanobubble concentrations induced hyperoxia stress, particularly in submergent plants, which result in collapse of the antioxidant system and the inhibition of plant physiological activity. The expression of genes involved in modulating redox potential and the oxidative stress response, as well as the generation of relevant hormones, were also altered. Overall, this study provides an evidence-based strategy to guide the future application of nanobubble technology for sustainable management of natural waters.Item Open Access Attrition study of cement-supported biomass-activated calcium sorbents for CO2 capture(American Chemical Society, 2016-08-19) Duan, Lunbo; Yu, Zhijian; Erans Moreno, Maria; Li, Yingjie; Manovic, Vasilije; Anthony, Edward J.Enhanced CO2 capacity of biomass modified Ca-based sorbent has been reported recently, but undesired attrition resistance has also been observed. Cement was used as a support for biomass-activated calcium sorbent during the granulation process in this study, in order to improve the poor mechanical resistance. Attrition tests were carried out in an apparatus focused on impact breakage to evaluate how the biomass addition and cement support influence the particle strength during Ca-looping. Results showed biomass addition impaired the mechanical strength and cement support could improve it, which is reflected by the breakage probability and size change after impact of pellets experienced calcination and multiple calcination/carbonation cycles. Larger-sized particles suffered more intense attrition. The mechanical strength of sorbents declined significantly after higher temperature calcination but increased after carbonation. After multiple cycles, the mechanical strength of particles was greatly enhanced, but more cracks emerged. A semi-empirical formula for calculating average diameter after attrition based on Rittinger’s surface theory was developed. Observation on the morphology of particles indicated that particles with more porosity and cracks were more prone to breakage.Item Open Access Bioaccumulation of Hg in rice leaf facilitates selenium bioaccumulation in rice (Oryza sativa L.) leaf in the Wanshan mercury mine(American Chemical Society , 2020-02-26) Chang, Chuanyu; Chen, Chongying; Yin, Runsheng; Shen, Yuan; Mao, Kang; Yang, Zhugen; Feng, Xinbin; Zhang, HuaMercury (Hg) bioaccumulation in rice poses a health issue for rice consumers. In rice paddies, selenium (Se) can decrease the bioavailability of Hg through forming the less bioavailable Hg selenides (HgSe) in soil. Rice leaves can directly uptake a substantial amount of elemental Hg from the atmosphere, however, whether the bioaccumulation of Hg in rice leaves can affect the bioaccumulation of Se in rice plants is not known. Here, we conducted field and controlled studies to investigate the bioaccumulation of Hg and Se in the rice-soil system. In the field study, we observed a significantly positive correlation between Hg concentrations and BAFs of Se in rice leaves (r2 = 0.60, p < 0.01) collected from the Wanshan Mercury Mine, SW China, suggesting that the bioaccumulation of atmospheric Hg in rice leaves can facilitate the uptake of soil Se, perhaps through the formation of Hg-Se complex in rice leaves. This conclusion was supported by the controlled study, which observed significantly higher concentrations and BAFs of Se in rice leaf at a high atmospheric Hg site at WMM, compared to a low atmospheric Hg site in Guiyang, SW China.Item Open Access Biochemical profile of heritage and modern apple cultivars and application of machine learning methods to predict usage, age, and harvest season(American Chemical Society, 2017-06-02) Anastasiadi, Maria; Mohareb, Fady R.; Redfern, Sally P.; Berry, Mark; Simmonds, Monique; Terry, Leon AThe present study represents the first major attempt to characterise the biochemical profile in different tissues of a large selection of apple cultivars sourced from the UK’s National Fruit Collection comprising dessert, ornamental, cider and culinary apples. Furthermore, advanced Machine Learning methods were applied with the objective to identify whether the phenolic and sugar composition of an apple cultivar could be used as a biomarker fingerprint to differentiate between heritage and mainstream commercial cultivars as well as govern the separation among primary usage groups and harvest season. Prediction accuracy > 90% was achieved with Random Forest for all three models. The results highlighted the extraordinary phytochemical potency and unique profile of some heritage, cider and ornamental apple cultivars, especially in comparison to more mainstream apple cultivars. Therefore, these findings could guide future cultivar selection on the basis of health-promoting phytochemical content.Item Open Access Can a paper-based device trace COVID-19 sources with wastewater-based epidemiology?(American Chemical Society , 2020-03-23) Mao, Kang; Zhang, Hua; Yang, ZhugenA recent outbreak of novel coronavirus pneumonia (COVID-19) caused by SARS-CoV-2 infection has spread rapidly around the globe, with cases now confirmed in 130 countries worldwide. Although public health authorities are racing to contain the spread of COVID-19 around the world, the situation is still grim. About 158 111 confirmed cases and 5946 cumulative deaths (81 059 confirmed cases and 3204 cumulative deaths from China) have been reported around the globe as of March 15, 2020. Some clinical cases have found that some carriers of the virus may be asymptomatic, with no fever, and no, or only slight symptoms of infection. Without the ability to screen these asymptomatic patients quickly and effectively, these unsuspecting carriers have the potential to increase the risk of disease transmission if no early effective quarantine measures are implemented. Therefore, to trace unknown COVID-19 sources, fast and accurate screening of potential virus carriers and diagnosis of asymptomatic patients is a crucial step for intervention and prevention at the early stage.Item Open Access Characterization of Fourier transform infrared, cavity ring-down spectroscopy, and optical feedback cavity-enhanced absorption spectroscopy instruments for the analysis of ammonia in biogas and biomethane(American Chemical Society, 2022-10-27) Culleton, Lucy P.; di Meane, Elena Amico; Ward, Michael K. M.; Ferracci, Valerio; Persijn, Stefan; Holmqvist, Albin; Arrhenius, Karine; Murugan, Arul; Brewer, Paul J.Novel traceable analytical methods and reference gas standards were developed for the detection of trace-level ammonia in biogas and biomethane. This work focused on an ammonia amount fraction at an upper limit level of 10 mg m–3 (corresponding to approximately 14 μmol mol–1) specified in EN 16723-1:2016. The application of spectroscopic analytical methods, such as Fourier transform infrared spectroscopy, cavity ring-down spectroscopy, and optical feedback cavity-enhanced absorption spectroscopy, was investigated. These techniques all exhibited the necessary ammonia sensitivity at the required 14 μmol mol–1 amount fraction. A 29-month stability study of reference gas mixtures of 10 μmol mol–1 ammonia in methane and synthetic biogas is also reported.Item Open Access Clay swelling: role of cations in stabilizing/destabilizing mechanisms(American Chemical Society , 2022-01-17) Chen, Wen L.; Grabowski, Robert C.; Goel, SauravThe stepwise hydration of clay minerals has been observed repeatedly in studies, but the underlying mechanism remains unclear. Previous numerical studies confirmed the presence of one-water layer (1W) and two-water layer (2W) hydration states. However, the undisturbed transition between these hydration states has never been captured. Using molecular dynamics simulation, this study (i) simulated for the first time the free 1W–2W transition during clay hydration and (ii) identified the underlying mechanism to be the detachment of cations from the clay surface and the formation of a shell of water molecules around the cation. The swelling dynamics of clay was found to be affected by the clay charge, clay mineralogy, and counterions through complex cation–clay interactions, cation hydration capacity, and cation migration rate.Item Open Access CO2 capture performance of gluconic acid-modified limestone-dolomite mixtures under realistic conditions(American Chemical Society , 2019-07-10) Wang, Ke; Gu, Feng; Clough, Peter T.; Zhao, Pengfei; Anthony, Edward J.Calcium Looping (CaL) technology has become one of the most attractive ways to capture CO2 from fossil fuel power plants. However, with increasing numbers of cyclic reactions, the CO2 capture capacity rapidly decreases. To address this shortcoming, limestone-dolomite mixtures modified by gluconic acid were explored to prepare highly effective, MgO-stabilized, CaO sorbents that exhibited a high and stable CO2 capture capacity over multiple cycles. The sorbents were all tested over 10 carbonation-calcination cycles and were performed under realistic CaL conditions (calcination in a high CO2 concentration). The results of this research have demonstrated that the inhomogeneous composition that occurs between CaO and MgO - caused by the small CaO crystallite size, porous texture, nanosheet (~100 nm thick) morphology - provides sufficient void space for the volume expansion during carbonation to mitigate the effects of repeated cycle sintering and retain structural stability. A MgO content as low as 10 mol% was able to ensure a superior CO2 capture performance with a fast carbonation rate, high CO2 carrying capacities and remarkable stability. Furthermore, these sorbents retained a conversion (above 90%) over multiple cycles following a recarbonation stepItem Open Access CO2 capture performance using biomass-templated cement-supported limestone pellets(American Chemical Society, 2016-09-09) Duan, Lunbo; Su, Chenglin; Erans Moreno, Maria; Li, Yingjie; Anthony, Edward J.; Chen, HuichaoSynthetic biomass-templated cement-supported CaO-based sorbents were produced by granulation process for high-temperature post-combustion CO2 capture. Commercial flour was used as the biomass and served as a templating agent. The investigation of porosity showed that the pellets with biomass or cement resulted in enhancement of porosity. Four types of sorbents containing varying proportions of biomass and cement were subject to 20 cycles in a TGA under different calcination conditions. After first series of tests calcined at 850 °C in 100% N2, all composite sorbents clearly exhibited higher CO2 capture activity compared to untreated limestone with exception of sorbents doped by seawater. The biomass-templated cement-supported pellets exhibited the highest CO2 capture level of 46.5% relative to 20.8% for raw limestone after 20 cycles. However, the observed enhancement in performance was substantially reduced under 950 °C calcination condition. Considering the fact that both sorbents supported by cement exhibited relatively high conversion with a maximum value of 19.5%, cement promoted sorbents appear to be better at resisting of harsh calcination conditions. Although flour as biomass-templated material generated significantly enhancement in CO2 capture capacity, further exploration must be carried out to find the way of maintaining outstanding performance for CaO-based sorbents under severe reaction conditions.Item Open Access Combustion behaviour of relatively large pulverised biomass particles at rapid heating rates(American Chemical Society, 2016-10-28) Mock, Chinsung; Lee, Hookyung; Choi, Sangmin; Manovic, VasilijeA pulverized solid fuel particle in a hot gas stream appears to have different characteristic behaviors at several stages, including heat-up, release of volatile matter, gas phase, and solid combustion. The characteristics of these stages may vary distinctly depending on devolatilization rate, the particle temperature history, and its chemical and physical properties. Biomass particles manifest different combustion behavior from that of burning coal particles under the same combustion conditions because they contain more volatiles (less fixed carbon), and they have a relatively lower particle density due to their fibrous structure. This paper presents an experimental study of burning behavior of different types of biomass particles (torrefied wood, coffee waste, and sewage sludge). The main experimental parameters—gas temperatures of 1090 and 1340 K, and O2 concentrations ranging from 10% to 40%—were employed to investigate the burning of biomass through a direct-observation approach using a high-speed photography technique at 7000 frames/s. In the case of firing/cofiring, biomass particles must be larger than the coal particles in order to achieve an equivalent thermal balance due to the higher energy density of coal. Therefore, the selected biomass samples were in the size range from 150–215 μm to 425–500 μm. The experimental setup has a cross-flow configuration for particle injection in order to enhance interaction between the particle and the two different streams—a cold carrier gas at 298 K, and upward-flowing postcombustion gases. It is believed that the employed experimental conditions are similar to those in a realistic furnace with a rapid heating rate of 105 K/s. The experimentally significant results, including the effective radii of the volatile flames, degrees of flame intensity, and the maximum size of a particle, are important for validation of models of single biomass particle combustion.Item Open Access Comparative life cycle assessment of glycerol valorization routes to 1,2- and 1,3-propanediol based on process modeling(American Chemical Society , 2024-10-07) Vanapalli, Kumar Raja; Nongdren, Lourembam; Maity, Sunil K; Kumar, VinodCrude glycerol, a high-volume byproduct of the biodiesel industry, has seen a significant surplus due to the industry’s rapid growth. It can be a promising feedstock for a range of high-value products via chemical and biochemical routes. This study thus elucidates the relative environmental performance of two prominent glycerol valorization technologies, i.e., catalytic hydrogenolysis to 1,2-propanediol and microbial fermentation (batch and fed-batch) to 1,3-propanediol, using a cradle-to-gate life cycle assessment (LCA). The LCA was performed using an experimental data-driven comprehensive process model to represent an industrial-scale biorefinery, handling 20 833 kg/h of glycerol. The LCA results identified cooling water (18-35.5%) and steam (15.2-33.7%) consumption in the distillation and glycerol sourcing (33.3-68.1%) as the critical environmental hotspots, which should be focused on while designing the process. The fed-batch fermentation process was environmentally more benign, with significantly lower environmental impacts than hydrogenolysis (by 35.2%) and batch fermentation (by 48.2%). Integrating effective process heat recovery using pinch technology reduced the overall environmental impacts by 4.9-11.2%. The environmental performance of the overall processes varied substantially (2.4-62.1%) with changes in glycerol sourcing and production methods. Therefore, energy and material recycling with sustainable water and glycerol sourcing can improve the sustainability of the overall process.Item Open Access Correlating asphaltene dimerization with its molecular structure by potential of mean force calculation and data mining(American Chemical Society, 2018-04-11) Zhu, Xinzhe; Wu, Guozhong; Coulon, Frederic; Wu, Lvwen; Chen, DaoyiAsphaltene aggregation affects the entire production chain of the petrochemical industry, which also poses environmental challenges for oil pollution remediation. The aggregation process has been investigated for decades, but it remains unclear how the free energy of asphaltene association in solvents is correlated to its molecular structure. In this study, dimerization energies of 28 types of asphaltenes in water and toluene were calculated using the umbrella sampling method. Structural parameters related to the atom types and functional groups were screened to identify the factors most influencing the dimerization energy using multiple linear regression, multilayer perceptron, and support vector regression. Results demonstrated that the influence of molecular structure on asphaltene association in water was nonlinear, while attempts to capture the relationship using linear regression had larger error. The linkage per aromatic ring, number of aromatic carbons, and number of aliphatic chains were the top three factors accounting for 52% of the dimerization energy variation in water. Asphaltene dimerization in toluene was dominated by the content of sulfur in aromatic rings and the number of aromatic carbons which contributed to 55% of the energy variation. To the best of our knowledge, this was the first study successfully predicting asphaltene dimerization using molecular structure (R > 0.9) and quantifying simultaneously the relative importance of each structural parameter. The proposed modeling approach supported the decision making on the number of structural parameters to investigate for predicting asphaltene aggregation.Item Open Access Deep eutectic solvents toward the detection and extraction of neurotransmitters: an emerging paradigm for biomedical applications(American Chemical Society, 2023-05-17) Kaur, Harjot; Siwal, Samarjeet Singh; Kumar, Vinod; Thakur, Vijay KumarNeurotransmitters (NTs), the chemical messengers crucial for the proper functioning of the human brain, have some specific concentration within the human physiological system. Any fluctuations in their concentration may cause several neuronal diseases and disorders. Therefore, the requirement for fast and effective diagnosis to regulate and manage human cerebral diseases or conditions is surging swiftly. NTs can be extracted from natural products. The researchers have developed new protocols to improve the sensors’ sensing ability and eco-friendly nature. Deep eutectic solvents (DESs) have gained popularity as “green solvents” in sustainable chemistry. DESs provide a greater range of a potential window that helps in the enhanced electrocatalytic performance of the sensor and more inertness which helps in the corrosion protection of electrodes, ultimately giving better sensitivity and durability to the system. In addition, DESs provide facile electrodeposition of different materials on working electrodes, which is a prime prerequisite in electrocatalytic sensors. Here, in this review, the application of DESs as green solvents in detecting and extracting NTs is described in detail for the first time. We cover the available online articles up to December 2022 for the extraction and monitoring of NTs. Finally, we have concluded the topic with future prospects in this field.Item Open Access Development of hypertolerant strain of Yarrowia lipolytica accumulating succinic acid using high levels of acetate(American Chemical Society, 2022-08-09) Narisetty, Vivek; Prabhu, Ashish A.; Bommareddy, Rajesh Reddy; Cox, Rylan; Agrawal, Deepti; Misra, Ashish; Ali Haider, M.; Bhatnagar, Amit; Pandey, Ashok; Kumar, VinodAcetate is emerging as a promising feedstock for biorefineries as it can serve as an alternate carbon source for microbial cell factories. In this study, we expressed acetyl-CoA synthase in Yarrowia lipolytica PSA02004PP, and the recombinant strain grew on acetate as the sole carbon source and accumulated succinic acid or succinate (SA). Unlike traditional feedstocks, acetate is a toxic substrate for microorganisms; therefore, the recombinant strain was further subjected to adaptive laboratory evolution to alleviate toxicity and improve tolerance against acetate. At high acetate concentrations, the adapted strain Y. lipolytica ACS 5.0 grew rapidly and accumulated lipids and SA. Bioreactor cultivation of ACS 5.0 with 22.5 g/L acetate in a batch mode resulted in a maximum cell OD600 of 9.2, with lipid and SA accumulation being 0.84 and 5.1 g/L, respectively. However, its fed-batch cultivation yielded a cell OD600 of 23.5, SA titer of 6.5 g/L, and lipid production of 1.5 g/L with an acetate uptake rate of 0.2 g/L h, about 2.86 times higher than the parent strain. Cofermentation of acetate and glucose significantly enhanced the SA titer and lipid accumulation to 12.2 and 1.8 g/L, respectively, with marginal increment in cell growth (OD600: 26.7). Furthermore, metabolic flux analysis has drawn insights into utilizing acetate for the production of metabolites that are downstream to acetyl-CoA. To the best of our knowledge, this is the first report on SA production from acetate by Y. lipolytica and demonstrates a path for direct valorization of sugar-rich biomass hydrolysates with elevated acetate levels to SA.Item Open Access Dual-emission single sensing element-assembled fluorescent sensor arrays for the rapid discrimination of multiple surfactants in environments(American Chemical Society, 2024-03-11) Wei, Dali; Zhang, Hu; Tao, Yu; Wang, Kaixuan; Wang, Ying; Deng, Chunmeng; Xu, Rongfei; Zhu, Nuanfei; Lu, Yanyan; Zeng, Kun; Yang, Zhugen; Zhang, ZhenSurfactants are considered as typical emerging pollutants, their extensive use of in disinfectants has hugely threatened the ecosystem and human health, particularly during the pandemic of coronavirus disease-19 (COVID-19), whereas the rapid discrimination of multiple surfactants in environments is still a great challenge. Herein, we designed a fluorescent sensor array based on luminescent metal–organic frameworks (UiO-66-NH2@Au NCs) for the specific discrimination of six surfactants (AOS, SDS, SDSO, MES, SDBS, and Tween-20). Wherein, UiO-66-NH2@Au NCs were fabricated by integrating UiO-66-NH2 (2-aminoterephthalic acid-anchored-MOFs based on zirconium ions) with gold nanoclusters (Au NCs), which exhibited a dual-emission features, showing good luminescence. Interestingly, due to the interactions of surfactants and UiO-66-NH2@Au NCs, the surfactants can differentially regulate the fluorescence property of UiO-66-NH2@Au NCs, producing diverse fluorescent “fingerprints”, which were further identified by pattern recognition methods. The proposed fluorescence sensor array achieved 100% accuracy in identifying various surfactants and multicomponent mixtures, with the detection limit in the range of 0.0032 to 0.0315 mM for six pollutants, which was successfully employed in the discrimination of surfactants in real environmental waters. More importantly, our findings provided a new avenue in rapid detection of surfactants, rendering a promising technique for environmental monitoring against trace multicontaminants.Item Open Access Dynamic transformations of metals in the burning solid matter during combustion of heavy metal-contaminated biomass(American Chemical Society, 2021-05-10) Zha, Jianrui; Huang, Yaji; Zhu, Zhicheng; Yu, Mengzhu; Clough, Peter T.; Yan, Yongliang; Dong, Lu; Cheng, HaoqiangCombustion as an efficient and reliable method is widely used for metal-enriched biomass to achieve energy and metal recoveries, but there are emission risks of heavy metals in the flue gas and bottom ash that can give rise to secondary pollutions. To optimize such combustion processes, this work investigated the combustion characteristics of a kind of hyperaccumulator biomass and focused on the intermediate states and dynamic transformations of metals for the first time. A pseudo-in situ sampling method was used to collect the burning solid residues at different time intervals before further analysis. The conversions between elemental forms were revealed, and their conversion rates were also calculated. It was found that the transformation of metals was determined by their elemental natures, species distributions, and combustion progress where there was not a consecutive process but separated by several stages, which were related to (1) the release of volatile matters, (2) the formation and consumption of the char, and (3) the fixation by silicates. Based on the information of dynamic metal characteristics, a new strategy was proposed to optimize metal distribution by adjusting the combustion time of operations. The methodology introduced in this work will also help emission control and metal recovery for other metal-rich fuels.Item Open Access Eco-friendly fabrication of highly selective amide-based polymer for CO2 capture(American Chemical Society, 2019-09-05) Fayemiwo, Kehinde; Chiarasumran, Nutchapon; Nabavi, Seyed Ali; Loponov, Konstantin N.; Manovic, Vasilije; Benyahia, Brahim; Vladisavljevic, Goran T.Porous polymeric adsorbents for CO2 capture (HCP-MAAMs) were fabricated by co-polymerisation of methacrylamide (MAAM) and ethylene glycol dimethacrylate (EGDMA) using acetonitrile and azobisisobutyronitrile as a porogen and initiator, respectively. The X-ray photoelectron and Fourier transform infrared spectra revealed a high density of amide groups in the polymer matrix of HCP-MAAMs, which enabled high selectivity to CO2. The polymers BET surface area and total pore volume was up to 277 m2 g-1 and 0.91 cm3 g-1, respectively. The highest CO2 uptake at 273 K and 1 bar CO2 pressure was 1.45 mmol g-1 and the heat of adsorption was 27-35 kJ mol-1. The polymer with the lowest crosslinking density exhibited unprecedented CO2/N2 selectivity of 394 at 273 K. Life cycle assessment revealed a lower environmental impact of HCP-MAAMs compared to molecularly imprinted polymers. HCP-MAAMs are eco-friendly CO2 adsorbents owing to their low regeneration energy, environmentally benign fabrication process, and high selectivity.Item Open Access Economic and environmental assessment of succinic acid production from sugarcane bagasse(American Chemical Society, 2021-09-15) Shaji, Arun; Shastri, Yogendra; Kumar, Vinod; Ranade, Vivek V.; Hindle, NeilThis work presents technoeconomic analysis (TEA) and life cycle assessment (LCA) of a novel biorefinery producing succinic acid (SA) from sugarcane bagasse. The process consists of acid pretreatment, fermentation, followed by downstream separation and purification. Experimental data for pretreatment and fermentation are adapted for a plant processing 4 t/h of dry bagasse, producing 405 kg/h of succinic acid with the same quantity of acetic acid as a side product. Downstream separation is simulated in ASPEN PLUS. The facility is assumed to be annexed to and heat-integrated with an existing sugar mill in India. LCA is performed considering cradle-to-gate scope with 1 kg of SA as the functional unit. The TEA results show that although the process is currently not economically feasible, expected improvements in fermentation yields will make it cost-competitive. For the expected yield, the product cost of SA is INR 121/kg ($1.61/kg), and the selling price of succinic acid should be INR 178/kg ($2.37/kg) for a payback period of 4 years. Pretreatment and fermentation are the biggest contributors to the product cost. The life cycle greenhouse gas (GHG) emissions are 1.39 kg of CO2 equiv/kg succinic acid with electricity as the major contributor. Process improvement opportunities are identified to reduce the costs, as well as life cycle impacts.Item Open Access Effect of seawater, aluminate cement and alumina-rich spinel on pelletised CaO-based sorbents for calcium looping(American Chemical Society , 2019-06-26) Morona, Lorena; Erans, María; Hanak, Dawid P.Calcium looping (CaL) is considered as an emerging technology to reduce CO2 emissions in power generation systems and carbon-intensive industries. The main disadvantage of this technology is reactivity decay over carbonation/calcination cycles due to sintering. The main objective of this study was to evaluate the performance of novel sorbents for CaL. Three types of pelletized CaO-based sorbents for CO2 capture were developed by adding aluminate cement, aluminate cement with seawater, or alumina-rich spinel to calcined limestone. Different concentrations of seawater in deionized water solutions were tested: 1, 10, 25, and 50 vol %. All samples were tested in a thermogravimetric analyzer (TGA) under two different calcination conditions: mild (N2 atmosphere and 850 °C during calcination) and realistic (CO2 atmosphere and 950 °C during calcination). The samples were characterized using SEM and EDX. Aluminate cement CaO-based sorbents exhibited better performance in the TGA tests (25% conversion after 20 cycles achieved by limestone and 35% with aluminate cement CaO-based pellets, under mild conditions, and 11% conversion after 20 cycles with limestone compared to 15% utilizing aluminate cement CaO-based pellets, under realistic conditions). However, doping had a negative effect on the reactivity of the sorbent. Moreover, alumina rich spinel CaO-based sorbents showed the worst performance.