The coagulation process is a widely applied technology in water and wastewater treatment.Novel composite polyferric mag-nesium-silicate-sulfate(PFMS)coagulants were synthesized using Na_(2)SiO_(3)·9H_(2)O,Fe_(2)(...The coagulation process is a widely applied technology in water and wastewater treatment.Novel composite polyferric mag-nesium-silicate-sulfate(PFMS)coagulants were synthesized using Na_(2)SiO_(3)·9H_(2)O,Fe_(2)(SO_(4))_(3),and MgSO_(4) as raw materials in this paper.The effects of aging time,Fe:Si:Mg,and OH:M molar ratios(M represents the metal ions)on the coagulation performance of the as-pre-pared PFMS were systematically investigated to obtain optimum coagulants.The results showed that PFMS coagulant exhibited good co-agulation properties in the treatment of simulated humic acid-kaolin surface water and reactive dye wastewater.When the molar ratio was controlled at Fe:Si:Mg=2:2:1 and OH:M=0.32,the obtained PFMS presented excellent stability and a high coagulation efficiency.The removal efficiency of ultraviolet UV254 was 99.81%,and the residual turbidity of the surface water reached 0.56 NTU at a dosage of 30 mg·L^(-1).After standing the coagulant for 120 d in the laboratory,the removal efficiency of UV254 and residual turbidity of the surface wa-ter were 88.12%and 0.68 NTU,respectively,which accord with the surface water treatment requirements.In addition,the coagulation performance in the treatment of reactive dye wastewater was greatly improved by combining the advantages of magnesium and iron salts.Compared with polyferric silicate-sulfate(PFS)and polymagnesium silicate-sulfate(PMS),the PFMS coagulant played a better decolor-ization role within the pH range of 7-13.展开更多
2,6-bis(picrylamino)-3,5-dinitropyridine(PYX)has excellent thermostability,which makes its thermal decomposition mechanism receive much attention.In this paper,the mechanism of PYX thermal decomposition was investigat...2,6-bis(picrylamino)-3,5-dinitropyridine(PYX)has excellent thermostability,which makes its thermal decomposition mechanism receive much attention.In this paper,the mechanism of PYX thermal decomposition was investigated thoroughly by the ReaxFF-lg force field combined with DFT-B3LYP(6-311++G)method.The detailed decomposition mechanism,small-molecule product evolution,and cluster evolution of PYX were mainly analyzed.In the initial stage of decomposition,the intramolecular hydrogen transfer reaction and the formation of dimerized clusters are earlier than the denitration reaction.With the progress of the reaction,one side of the bitter amino group is removed from the pyridine ring,and then the pyridine ring is cleaved.The final products produced in the thermal decomposition process are CO_(2),H_(2)O,N_(2),and H_(2).Among them,H_(2)O has the earliest generation time,and the reaction rate constant(k_(3))is the largest.Many clusters are formed during the decomposition of PYX,and the formation,aggregation,and decomposition of these clusters are strongly affected by temperature.At low temperatures(2500 K-2750 K),many clusters are formed.At high temperatures(2750 K-3250 K),the clusters aggregate to form larger clusters.At 3500 K,the large clusters decompose and become small.In the late stage of the reaction,H and N in the clusters escaped almost entirely,but more O was trapped in the clusters,which affected the auto-oxidation process of PYX.PYX's initial decomposition activation energy(E_(a))was calculated to be 126.58 kJ/mol.This work contributes to a theoretical understanding of PYX's entire thermal decomposition process.展开更多
Purpose:Assess whether ChatGPT 4.0 is accurate enough to perform research evaluations on journal articles to automate this time-consuming task.Design/methodology/approach:Test the extent to which ChatGPT-4 can assess ...Purpose:Assess whether ChatGPT 4.0 is accurate enough to perform research evaluations on journal articles to automate this time-consuming task.Design/methodology/approach:Test the extent to which ChatGPT-4 can assess the quality of journal articles using a case study of the published scoring guidelines of the UK Research Excellence Framework(REF)2021 to create a research evaluation ChatGPT.This was applied to 51 of my own articles and compared against my own quality judgements.Findings:ChatGPT-4 can produce plausible document summaries and quality evaluation rationales that match the REF criteria.Its overall scores have weak correlations with my self-evaluation scores of the same documents(averaging r=0.281 over 15 iterations,with 8 being statistically significantly different from 0).In contrast,the average scores from the 15 iterations produced a statistically significant positive correlation of 0.509.Thus,averaging scores from multiple ChatGPT-4 rounds seems more effective than individual scores.The positive correlation may be due to ChatGPT being able to extract the author’s significance,rigour,and originality claims from inside each paper.If my weakest articles are removed,then the correlation with average scores(r=0.200)falls below statistical significance,suggesting that ChatGPT struggles to make fine-grained evaluations.Research limitations:The data is self-evaluations of a convenience sample of articles from one academic in one field.Practical implications:Overall,ChatGPT does not yet seem to be accurate enough to be trusted for any formal or informal research quality evaluation tasks.Research evaluators,including journal editors,should therefore take steps to control its use.Originality/value:This is the first published attempt at post-publication expert review accuracy testing for ChatGPT.展开更多
Lithium-sulfur battery(LSB)has brought much attention and concern because of high theoretical specific capacity and energy density as one of main competitors for next-generation energy storage systems.The widely comme...Lithium-sulfur battery(LSB)has brought much attention and concern because of high theoretical specific capacity and energy density as one of main competitors for next-generation energy storage systems.The widely commercial application and development of LSB is mainly hindered by serious“shuttle effect”of lithium polysulfides(Li PSs),slow reaction kinetics,notorious lithium dendrites,etc.In various structures of LSB materials,array structured materials,possessing the composition of ordered micro units with the same or similar characteristics of each unit,present excellent application potential for various secondary cells due to some merits such as immobilization of active substances,high specific surface area,appropriate pore sizes,easy modification of functional material surface,accommodated huge volume change,enough facilitated transportation for electrons/lithium ions,and special functional groups strongly adsorbing Li PSs.Thus many novel array structured materials are applied to battery for tackling thorny problems mentioned above.In this review,recent progresses and developments on array structured materials applied in LSBs including preparation ways,collaborative structural designs based on array structures,and action mechanism analyses in improving electrochemical performance and safety are summarized.Meanwhile,we also have detailed discussion for array structured materials in LSBs and constructed the structure-function relationships between array structured materials and battery performances.Lastly,some directions and prospects about preparation ways,functional modifications,and practical applications of array structured materials in LSBs are generalized.We hope the review can attract more researchers'attention and bring more studying on array structured materials for other secondary batteries including LSB.展开更多
In the digital age, the global character of the Internet has significantly improved our daily lives by providing access to large amounts of knowledge and allowing for seamless connections. However, this enormously int...In the digital age, the global character of the Internet has significantly improved our daily lives by providing access to large amounts of knowledge and allowing for seamless connections. However, this enormously interconnected world is not without its risks. Malicious URLs are a powerful menace, masquerading as legitimate links while holding the intent to hack computer systems or steal sensitive personal information. As the sophistication and frequency of cyberattacks increase, identifying bad URLs has emerged as a critical aspect of cybersecurity. This study presents a new approach that enables the average end-user to check URL safety using Microsoft Excel. Using the powerful VirusTotal API for URL inspections, this study creates an Excel add-in that integrates Python and Excel to deliver a seamless, user-friendly interface. Furthermore, the study improves Excel’s capabilities by allowing users to encrypt and decrypt text communications directly in the spreadsheet. Users may easily encrypt their conversations by simply typing a key and the required text into predefined cells, enhancing their personal cybersecurity with a layer of cryptographic secrecy. This strategy democratizes access to advanced cybersecurity solutions, making attentive digital integrity a feature rather than a daunting burden.展开更多
Microsoft Excel is essential for the End-User Approach (EUA), offering versatility in data organization, analysis, and visualization, as well as widespread accessibility. It fosters collaboration and informed decision...Microsoft Excel is essential for the End-User Approach (EUA), offering versatility in data organization, analysis, and visualization, as well as widespread accessibility. It fosters collaboration and informed decision-making across diverse domains. Conversely, Python is indispensable for professional programming due to its versatility, readability, extensive libraries, and robust community support. It enables efficient development, advanced data analysis, data mining, and automation, catering to diverse industries and applications. However, one primary issue when using Microsoft Excel with Python libraries is compatibility and interoperability. While Excel is a widely used tool for data storage and analysis, it may not seamlessly integrate with Python libraries, leading to challenges in reading and writing data, especially in complex or large datasets. Additionally, manipulating Excel files with Python may not always preserve formatting or formulas accurately, potentially affecting data integrity. Moreover, dependency on Excel’s graphical user interface (GUI) for automation can limit scalability and reproducibility compared to Python’s scripting capabilities. This paper covers the integration solution of empowering non-programmers to leverage Python’s capabilities within the familiar Excel environment. This enables users to perform advanced data analysis and automation tasks without requiring extensive programming knowledge. Based on Soliciting feedback from non-programmers who have tested the integration solution, the case study shows how the solution evaluates the ease of implementation, performance, and compatibility of Python with Excel versions.展开更多
基金supported by the National Natural Science Foundation of China (No.U1810205).
文摘The coagulation process is a widely applied technology in water and wastewater treatment.Novel composite polyferric mag-nesium-silicate-sulfate(PFMS)coagulants were synthesized using Na_(2)SiO_(3)·9H_(2)O,Fe_(2)(SO_(4))_(3),and MgSO_(4) as raw materials in this paper.The effects of aging time,Fe:Si:Mg,and OH:M molar ratios(M represents the metal ions)on the coagulation performance of the as-pre-pared PFMS were systematically investigated to obtain optimum coagulants.The results showed that PFMS coagulant exhibited good co-agulation properties in the treatment of simulated humic acid-kaolin surface water and reactive dye wastewater.When the molar ratio was controlled at Fe:Si:Mg=2:2:1 and OH:M=0.32,the obtained PFMS presented excellent stability and a high coagulation efficiency.The removal efficiency of ultraviolet UV254 was 99.81%,and the residual turbidity of the surface water reached 0.56 NTU at a dosage of 30 mg·L^(-1).After standing the coagulant for 120 d in the laboratory,the removal efficiency of UV254 and residual turbidity of the surface wa-ter were 88.12%and 0.68 NTU,respectively,which accord with the surface water treatment requirements.In addition,the coagulation performance in the treatment of reactive dye wastewater was greatly improved by combining the advantages of magnesium and iron salts.Compared with polyferric silicate-sulfate(PFS)and polymagnesium silicate-sulfate(PMS),the PFMS coagulant played a better decolor-ization role within the pH range of 7-13.
基金funded by the National Natural Science Foundation of China(Grant No.21975024)。
文摘2,6-bis(picrylamino)-3,5-dinitropyridine(PYX)has excellent thermostability,which makes its thermal decomposition mechanism receive much attention.In this paper,the mechanism of PYX thermal decomposition was investigated thoroughly by the ReaxFF-lg force field combined with DFT-B3LYP(6-311++G)method.The detailed decomposition mechanism,small-molecule product evolution,and cluster evolution of PYX were mainly analyzed.In the initial stage of decomposition,the intramolecular hydrogen transfer reaction and the formation of dimerized clusters are earlier than the denitration reaction.With the progress of the reaction,one side of the bitter amino group is removed from the pyridine ring,and then the pyridine ring is cleaved.The final products produced in the thermal decomposition process are CO_(2),H_(2)O,N_(2),and H_(2).Among them,H_(2)O has the earliest generation time,and the reaction rate constant(k_(3))is the largest.Many clusters are formed during the decomposition of PYX,and the formation,aggregation,and decomposition of these clusters are strongly affected by temperature.At low temperatures(2500 K-2750 K),many clusters are formed.At high temperatures(2750 K-3250 K),the clusters aggregate to form larger clusters.At 3500 K,the large clusters decompose and become small.In the late stage of the reaction,H and N in the clusters escaped almost entirely,but more O was trapped in the clusters,which affected the auto-oxidation process of PYX.PYX's initial decomposition activation energy(E_(a))was calculated to be 126.58 kJ/mol.This work contributes to a theoretical understanding of PYX's entire thermal decomposition process.
文摘Purpose:Assess whether ChatGPT 4.0 is accurate enough to perform research evaluations on journal articles to automate this time-consuming task.Design/methodology/approach:Test the extent to which ChatGPT-4 can assess the quality of journal articles using a case study of the published scoring guidelines of the UK Research Excellence Framework(REF)2021 to create a research evaluation ChatGPT.This was applied to 51 of my own articles and compared against my own quality judgements.Findings:ChatGPT-4 can produce plausible document summaries and quality evaluation rationales that match the REF criteria.Its overall scores have weak correlations with my self-evaluation scores of the same documents(averaging r=0.281 over 15 iterations,with 8 being statistically significantly different from 0).In contrast,the average scores from the 15 iterations produced a statistically significant positive correlation of 0.509.Thus,averaging scores from multiple ChatGPT-4 rounds seems more effective than individual scores.The positive correlation may be due to ChatGPT being able to extract the author’s significance,rigour,and originality claims from inside each paper.If my weakest articles are removed,then the correlation with average scores(r=0.200)falls below statistical significance,suggesting that ChatGPT struggles to make fine-grained evaluations.Research limitations:The data is self-evaluations of a convenience sample of articles from one academic in one field.Practical implications:Overall,ChatGPT does not yet seem to be accurate enough to be trusted for any formal or informal research quality evaluation tasks.Research evaluators,including journal editors,should therefore take steps to control its use.Originality/value:This is the first published attempt at post-publication expert review accuracy testing for ChatGPT.
基金This work was supported by the National Natural Science Foundation of China(52203066,51973157,61904123)the Tianjin Natural Science Foundation(18JCQNJC02900)+3 种基金the National innovation and entrepreneurship training program for college students(202310058007)the Tianjin Municipal college students’innovation and entrepreneurship training program(202310058088)the Science&Technology Development Fund of Tianjin Education Commission for Higher Education(Grant No.2018KJ196)the State Key Laboratory of Membrane and Membrane Separation,Tiangong University.
文摘Lithium-sulfur battery(LSB)has brought much attention and concern because of high theoretical specific capacity and energy density as one of main competitors for next-generation energy storage systems.The widely commercial application and development of LSB is mainly hindered by serious“shuttle effect”of lithium polysulfides(Li PSs),slow reaction kinetics,notorious lithium dendrites,etc.In various structures of LSB materials,array structured materials,possessing the composition of ordered micro units with the same or similar characteristics of each unit,present excellent application potential for various secondary cells due to some merits such as immobilization of active substances,high specific surface area,appropriate pore sizes,easy modification of functional material surface,accommodated huge volume change,enough facilitated transportation for electrons/lithium ions,and special functional groups strongly adsorbing Li PSs.Thus many novel array structured materials are applied to battery for tackling thorny problems mentioned above.In this review,recent progresses and developments on array structured materials applied in LSBs including preparation ways,collaborative structural designs based on array structures,and action mechanism analyses in improving electrochemical performance and safety are summarized.Meanwhile,we also have detailed discussion for array structured materials in LSBs and constructed the structure-function relationships between array structured materials and battery performances.Lastly,some directions and prospects about preparation ways,functional modifications,and practical applications of array structured materials in LSBs are generalized.We hope the review can attract more researchers'attention and bring more studying on array structured materials for other secondary batteries including LSB.
文摘In the digital age, the global character of the Internet has significantly improved our daily lives by providing access to large amounts of knowledge and allowing for seamless connections. However, this enormously interconnected world is not without its risks. Malicious URLs are a powerful menace, masquerading as legitimate links while holding the intent to hack computer systems or steal sensitive personal information. As the sophistication and frequency of cyberattacks increase, identifying bad URLs has emerged as a critical aspect of cybersecurity. This study presents a new approach that enables the average end-user to check URL safety using Microsoft Excel. Using the powerful VirusTotal API for URL inspections, this study creates an Excel add-in that integrates Python and Excel to deliver a seamless, user-friendly interface. Furthermore, the study improves Excel’s capabilities by allowing users to encrypt and decrypt text communications directly in the spreadsheet. Users may easily encrypt their conversations by simply typing a key and the required text into predefined cells, enhancing their personal cybersecurity with a layer of cryptographic secrecy. This strategy democratizes access to advanced cybersecurity solutions, making attentive digital integrity a feature rather than a daunting burden.
文摘Microsoft Excel is essential for the End-User Approach (EUA), offering versatility in data organization, analysis, and visualization, as well as widespread accessibility. It fosters collaboration and informed decision-making across diverse domains. Conversely, Python is indispensable for professional programming due to its versatility, readability, extensive libraries, and robust community support. It enables efficient development, advanced data analysis, data mining, and automation, catering to diverse industries and applications. However, one primary issue when using Microsoft Excel with Python libraries is compatibility and interoperability. While Excel is a widely used tool for data storage and analysis, it may not seamlessly integrate with Python libraries, leading to challenges in reading and writing data, especially in complex or large datasets. Additionally, manipulating Excel files with Python may not always preserve formatting or formulas accurately, potentially affecting data integrity. Moreover, dependency on Excel’s graphical user interface (GUI) for automation can limit scalability and reproducibility compared to Python’s scripting capabilities. This paper covers the integration solution of empowering non-programmers to leverage Python’s capabilities within the familiar Excel environment. This enables users to perform advanced data analysis and automation tasks without requiring extensive programming knowledge. Based on Soliciting feedback from non-programmers who have tested the integration solution, the case study shows how the solution evaluates the ease of implementation, performance, and compatibility of Python with Excel versions.