Journal of Chemical Education最新文献_第2页

The Rayleigh–Ritz Variation Method: An Illustrative Application to Anharmonicity of the Hydrogen Chloride Molecule Vibrations 瑞利-里兹变分法：在氯化氢分子振动非调和性中的应用

IF 2.5 3区教育学

Journal of Chemical Education Pub Date : 2025-03-20 DOI: 10.1021/acs.jchemed.4c0138410.1021/acs.jchemed.4c01384

Piotr Borowski*, Karina Kowalska and Piotr Pikuta,

{"title":"The Rayleigh–Ritz Variation Method: An Illustrative Application to Anharmonicity of the Hydrogen Chloride Molecule Vibrations","authors":"Piotr Borowski*, Karina Kowalska and Piotr Pikuta, ","doi":"10.1021/acs.jchemed.4c0138410.1021/acs.jchemed.4c01384","DOIUrl":"https://doi.org/10.1021/acs.jchemed.4c01384https://doi.org/10.1021/acs.jchemed.4c01384","url":null,"abstract":"In this paper a new approach to presenting the Rayleigh–Ritz method to chemistry students is described. The emphasis is on the methodological aspects that students should concentrate on, rather than on computational issues (e.g., calculations of integrals). The method is illustrated by the example of its application to the problem of anharmonicity of the HCl molecule vibrations. An Excel workbook to perform calculations without distracting students from the essence of the method was prepared. The relevant integrals, including integrals for the anharmonic terms up the sixth order, were programmed using the well-known formulas. The Jacobi diagonalization procedure was implemented in Visual Basic as an Excel macro. This procedure can be easily used provided the Hamiltonian matrix is available. This matrix can be readily assembled from the precomputed integrals and adjusted according to the users’ needs, e.g., by straightforward inclusion of the desired anharmonic terms to the potential. Issues to be discussed with students based on the results obtained for the fourth-order anharmonic potential are also suggested. It is also highly recommended that students carry out similar calculations, e.g., by including higher order terms to see the changes in the oscillator energy levels. The workbook can be easily adapted for calculations on other diatomic molecules at any computational level. In addition, a Wolfram Mathematica notebook for performing similar calculations was also provided for the users’ convenience.","PeriodicalId":43,"journal":{"name":"Journal of Chemical Education","volume":"102 4","pages":"1529–1535 1529–1535"},"PeriodicalIF":2.5,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.jchemed.4c01384","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143790308","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"教育学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Open-Source Visual Programming Software for Introducing Principal Component Analysis to the Analytical Curriculum 将主成分分析引入分析课程的开源可视化编程软件

IF 2.5 3区教育学

Journal of Chemical Education Pub Date : 2025-03-20 DOI: 10.1021/acs.jchemed.4c0031110.1021/acs.jchemed.4c00311

Tai-Sheng Yeh*,

{"title":"Open-Source Visual Programming Software for Introducing Principal Component Analysis to the Analytical Curriculum","authors":"Tai-Sheng Yeh*, ","doi":"10.1021/acs.jchemed.4c0031110.1021/acs.jchemed.4c00311","DOIUrl":"https://doi.org/10.1021/acs.jchemed.4c00311https://doi.org/10.1021/acs.jchemed.4c00311","url":null,"abstract":"With the increasing complexity of analytical data nowadays, great reliance on statistical and chemometric software is quite common for scientists. Powerful open-source software, such as Python, R, and the commercial software MATLAB, demands good coding skills. Writing original code could be challenging for students with no prior programming experience. Orange Data Mining is a Python based visual programming software that has been used widely in many scientific publications. Principal component analysis (PCA) is one of the most common exploratory data analysis techniques with applications in outlier detection, dimensionality reduction, graphical clustering, and classification. By using a program workflow based on widgets (a computational unit within Orange), the task of PCA can be done very quickly. The same workflow could be used for different types of analytical data without the need for reprogramming again. The application of Orange Data Mining software to PCA exploratory analysis of sugar NIR spectral data from a portable NIR spectrometer will be demonstrated. Further data sets including multivariate coffee composition data, instant coffee FTIR spectra, vegetable oil fatty acid composition, and vegetable oil NMR spectra were given as Supporting Information to enhance the learning of software through repetition. From the demonstration, it can be easily seen how Orange Data Mining software will be useful for introducing PCA to the analytical curriculum.","PeriodicalId":43,"journal":{"name":"Journal of Chemical Education","volume":"102 4","pages":"1428–1435 1428–1435"},"PeriodicalIF":2.5,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143790470","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"教育学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Quick-QM-Spectra (QQMS): A Website for the Visualization of Spectra and Molecules from the Output of Free Open-Source Electronic Structure Programs Quick-QM-Spectra (QQMS)：一个从免费开源电子结构程序输出的光谱和分子的可视化网站

IF 2.5 3区教育学

Journal of Chemical Education Pub Date : 2025-03-18 DOI: 10.1021/acs.jchemed.4c0154710.1021/acs.jchemed.4c01547

Hannah R. Leverentz-Culp*, and , Joseph K. West,

引用次数: 0

Spilling the “Tea” about Chemical Equilibrium and Le Châtelier’s Principle 关于化学平衡和勒chchtelier原理的“茶”

IF 2.5 3区教育学

Journal of Chemical Education Pub Date : 2025-03-17 DOI: 10.1021/acs.jchemed.4c0130910.1021/acs.jchemed.4c01309

Sanaz C. Habibi, Jared S. Smith, Alivia Edwards, Kendahl A. Darschewski, Hannah Weckel-Dahman, A. Elena Sjoblom, Saad Faheem, Olivia W. Schmitz, Georgiy Polishchuk and Kaci L. Kuntz*,

{"title":"Spilling the “Tea” about Chemical Equilibrium and Le Châtelier’s Principle","authors":"Sanaz C. Habibi, Jared S. Smith, Alivia Edwards, Kendahl A. Darschewski, Hannah Weckel-Dahman, A. Elena Sjoblom, Saad Faheem, Olivia W. Schmitz, Georgiy Polishchuk and Kaci L. Kuntz*, ","doi":"10.1021/acs.jchemed.4c0130910.1021/acs.jchemed.4c01309","DOIUrl":"https://doi.org/10.1021/acs.jchemed.4c01309https://doi.org/10.1021/acs.jchemed.4c01309","url":null,"abstract":"Tea has been implemented in various educational laboratories, often to demonstrate Le Châtelier’s principle. The color of tea can primarily be attributed to thearubigin species, and is an equilibrium between the lightly colored, weak acid reactant (TR) with a darkly colored anion (TR–) and hydronium ion products. This system responds to the addition of an acid or base, thus allowing students to observe the response visually. Here, we have extended this concept to a chemical education lab experiment where students can quantitatively determine the chemical equilibrium constant of thearubigins in tea. This experiment allows students to gain experience with unit conversions, ICE tables, pH measurements, absorbance spectroscopy, calibration curves, and calculations of Keq. Students measure the pH of tea to be 4.7–5.7 and by assumptions with respect to the concentrations of thearubigin species at equilibrium, students calculate an equilibrium constant (Keq) of the aqueous thearubigin species of 3.6 × 10–6 – 3.5 × 10–5. Ultimately, students demonstrate qualitative and quantitative understanding of how applying Le Châtelier’s principle to an equilibrated system at a constant temperature does not alter the equilibrium constant.","PeriodicalId":43,"journal":{"name":"Journal of Chemical Education","volume":"102 4","pages":"1669–1675 1669–1675"},"PeriodicalIF":2.5,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143790589","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"教育学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Who Has the Winning Ticket? A Radiant Raffle Demonstration 谁有中奖彩票？辐射抽奖示范

IF 2.5 3区教育学

Journal of Chemical Education Pub Date : 2025-03-17 DOI: 10.1021/acs.jchemed.4c0150110.1021/acs.jchemed.4c01501

Petra Dunkel*, Bence Kontra, Barnabás Gere, Vuong Tran and Zoltán Kaleta*,

引用次数: 0

Development and Evaluation of the Chemistry Multidimensional Belonging Scale (CMBS) 化学多维归属量表（CMBS）的开发与评价

IF 2.5 3区教育学

Journal of Chemical Education Pub Date : 2025-03-16 DOI: 10.1021/acs.jchemed.4c0152710.1021/acs.jchemed.4c01527

Jessica D. Young, and , Scott E. Lewis*,

{"title":"Development and Evaluation of the Chemistry Multidimensional Belonging Scale (CMBS)","authors":"Jessica D. Young,  and , Scott E. Lewis*, ","doi":"10.1021/acs.jchemed.4c0152710.1021/acs.jchemed.4c01527","DOIUrl":"https://doi.org/10.1021/acs.jchemed.4c01527https://doi.org/10.1021/acs.jchemed.4c01527","url":null,"abstract":"Sense of belonging in postsecondary introductory chemistry classrooms has been correlated with success outcomes for students. Therefore, a surge of programming and initiatives has taken place to prioritize student success and wellbeing. However, there is a gap between practice and evaluation. Current instruments available to researchers and practitioners fall short of the nuance needed to capture the impact of these initiatives or were not developed for postsecondary chemistry classrooms. This study developed and evaluated a chemistry multidimensional belonging scale (CMBS) that can be used to measure four dimensions of students’ sense of belonging in chemistry classrooms. Survey development was based upon previous work that describes a theoretical framework and an iterative process of survey development, resulting in the CMBS, a 16 item Likert scale survey. To evaluate the survey, it was administered to two classes of first-semester general chemistry (N = 289), and the students’ responses were evaluated for internal structure, response process, and relations to external variables. The results evidenced the validity and reliability of the data produced by the CMBS. The resulting instrument items are included, and future work can utilize this survey to examine the generalizability of the findings or evaluate efforts to promote students’ sense of belonging.","PeriodicalId":43,"journal":{"name":"Journal of Chemical Education","volume":"102 4","pages":"1418–1427 1418–1427"},"PeriodicalIF":2.5,"publicationDate":"2025-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143790520","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"教育学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Shifting Perspectives: A Community-Based Learning Science Outreach Course That Engages Undergraduate Metacognition through Midsemester Redesign 转变的视角：以社区为基础的学习科学拓展课程，通过中期重新设计参与本科生元认知

IF 2.5 3区教育学

Journal of Chemical Education Pub Date : 2025-03-16 DOI: 10.1021/acs.jchemed.4c0065610.1021/acs.jchemed.4c00656

L. Gaby Avila-Bront*,

引用次数: 0

Can You Escape da Vinci’s Curse? A Chemistry Escape Room for Skills Consolidation 你能逃脱达芬奇的诅咒吗？巩固技能的化学密室

IF 2.5 3区教育学

Journal of Chemical Education Pub Date : 2025-03-16 DOI: 10.1021/acs.jchemed.4c0152210.1021/acs.jchemed.4c01522

Anna Bertram, Charlotte A. Clark, Kyle W. Galloway, Oscar Siles Brügge and Andrew Nortcliffe*,

引用次数: 0

Quantimon: A Gamified Laboratory Experiment for Undergraduate Quantitative Analysis 量子：大学生定量分析的游戏化实验室实验

IF 2.5 3区教育学

Journal of Chemical Education Pub Date : 2025-03-16 DOI: 10.1021/acs.jchemed.4c0107410.1021/acs.jchemed.4c01074

Nicholette Stewart, and , Molly B. Atkinson*,

{"title":"Quantimon: A Gamified Laboratory Experiment for Undergraduate Quantitative Analysis","authors":"Nicholette Stewart,  and , Molly B. Atkinson*, ","doi":"10.1021/acs.jchemed.4c0107410.1021/acs.jchemed.4c01074","DOIUrl":"https://doi.org/10.1021/acs.jchemed.4c01074https://doi.org/10.1021/acs.jchemed.4c01074","url":null,"abstract":"Undergraduate students enrolled in the Quantitative Analysis laboratory course are often plagued with titration boredom (fatigue due to the repetition of titration-based experiments throughout the semester), often leading students to prioritize finishing quickly over learning essential skills. This has been previously shown to decrease motivation and engagement, which has been linked to decreased long-term retention of content knowledge and skills. One potential solution is the implementation of gamified experiments. We developed and implemented a novel gamified titration experiment to be used in the undergraduate Quantitative Analysis laboratory. This novel game, Quantimon, is a card game that allows students to work in teams with the goal of earning the highest proficiency in order to build their own character chemist. Students complete the laboratory experiment and answer questions following each task to earn proficiency cards. After each team has built their character chemist, they battle in gamified laboratory-based scenarios, where teams draw trivia cards that either give or take damage depending on correctness. Student motivation and details on experience during the gamified titration laboratory experiment were assessed using a developed survey. Details of the novel game have been described, with data indicating an increase in student motivation when completing the gamified laboratory experiment.","PeriodicalId":43,"journal":{"name":"Journal of Chemical Education","volume":"102 4","pages":"1611–1618 1611–1618"},"PeriodicalIF":2.5,"publicationDate":"2025-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143790521","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"教育学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

1925–2024: One Century of Educational Games in Chemistry 1925-2024：一个世纪的化学教育游戏

IF 2.5 3区教育学

Journal of Chemical Education Pub Date : 2025-03-14 DOI: 10.1021/acs.jchemed.4c0123810.1021/acs.jchemed.4c01238

José Nunes da Silva Júnior*, Maria do Socorro Caldas Teotônio, Renner César Silveira Jucá, Guilherme de Lima Castro and Antonio José Melo Leite Junior,

{"title":"1925–2024: One Century of Educational Games in Chemistry","authors":"José Nunes da Silva Júnior*, Maria do Socorro Caldas Teotônio, Renner César Silveira Jucá, Guilherme de Lima Castro and Antonio José Melo Leite Junior, ","doi":"10.1021/acs.jchemed.4c0123810.1021/acs.jchemed.4c01238","DOIUrl":"https://doi.org/10.1021/acs.jchemed.4c01238https://doi.org/10.1021/acs.jchemed.4c01238","url":null,"abstract":"The use of educational games in Chemistry teaching has a history of 100 years, dating back to their first publication in 1925. Studies have shown the positive effects of this complementary learning strategy, such as increased motivation and improvements in the interpretation of symbols and concepts, especially in schools and universities. This review presents essential information on educational games for the scientific community of Chemistry, including titles, areas, and subareas of study covered, countries, number of publications, delivery methods and formats, the language used, categories and styles, and types of journals. The objective is to provide a broad overview of the evolution of research in the area, encouraging new productions and reproductions based on a detailed analysis of the collected data. The search was conducted in the Web of Science, Scopus, Dimensions, and Education Resources Information Center databases, which are some of the most widely used by researchers worldwide and provide highly reliable open-access journals. The bibliographic mapping covers the period from January 1925 to June 2024, identifying 735 relevant works. After careful analysis, which included the exclusion of duplicates and the application of inclusion and exclusion criteria, 311 complete articles were considered in this study. The method adopted was bibliometric analysis, specifically Performance Analysis, with a descriptive and analytical approach. The references extracted from this mapping were used to discuss and validate the findings and the evolution of the applicability of educational games in the teaching and learning of Chemistry throughout this centenary.","PeriodicalId":43,"journal":{"name":"Journal of Chemical Education","volume":"102 4","pages":"1492–1510 1492–1510"},"PeriodicalIF":2.5,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.jchemed.4c01238","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143790516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"教育学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0