Flux difference splitting for inviscid, real gases with non-equilibrium chemistry

A flux-difference splitting method is presented for the inviscid terms of the compressible flow equations for chemical non-equilibrium gases

Heteroscedastic controlled calibration model applied to analytical chemistry

In chemical analyses performed by laboratories, one faces the problem of determining the concentration of a chemical element in a sample. In practice, one deals with the problem using the so-called linear calibration model, which considers that the errors associated with the independent variables are negligible compared with the former variable. In this work, a new linear calibration model is proposed assuming that the independent variables are subject to heteroscedastic measurement errors. A simulation study is carried out in order to verify some properties of the estimators derived for the new model and it is also considered the usual calibration model to compare it with the new approach. Three applications are considered to verify the performance of the new approach. Copyright (C) 2010 John Wiley & Sons, Ltd.

Using spreadsheets in chemical education to avoid symbolic mathematics.

Traditionally, quantum theory has traditionally relied heavily on the use of  mathematics. However, there is a significant cohort of students who are  weak in mathematics, for example, students who are majoring in   biochemistry, biological sciences, etc. This paper reports on the use of  spreadsheets to generate approximate numerical solutions and visual  (graphical) descriptions as a method of avoiding or minimizing symbolic  manipulations, mathematical derivations and numerical computation. A  specific example from quantum theory is provided. Some aspects of  educational pedagogy of spreadsheet usage are discussed.

Developments in target-ion source chemistry for ISOL facilities

This work investigates the influence of chemical reactions on the release of elements from target-ion source units for ISOL facilities. Methods employed are thermochromatography, yield and hold-up time measurements; adsorption enthalpies have been determined for Ag and In. The results obtained with these methods are consistent. Elements exhibit reversible or irreversible reactions on different surfaces (Tantalum, quartz, sapphire). The interactions with surfaces inside the target-ion source unit can be used to improve the quality of radioactive ion beams. Spectroscopic data obtained at CERN-ISOLDE using a medium-temperature quartz transfer line show the effectivity of selective adsorption for beam purification. New gamma lines of 131Cd have been observed and a tentative decay scheme is presented.

Effects of instructional changes on student learning of electrochemistry in an IB chemistry course

This study investigated the effectiveness of incorporating several new instructional strategies into an International Baccalaureate (IB) chemistry course in terms of how they supported high school seniors’ understanding of electrochemistry. The three new methods used were (a) providing opportunities for visualization of particle movement by student manipulation of physical models and interactive computer simulations, (b) explicitly addressing common misconceptions identified in the literature, and (c) teaching an algorithmic, step-wise approach for determining the products of an aqueous solution electrolysis. Changes in student understanding were assessed through test scores on both internally and externally administered exams over a two-year period. It was found that visualization practice and explicit misconception instruction improved student understanding, but the effect was more apparent in the short-term. The data suggested that instruction time spent on algorithm practice was insufficient to cause significant test score improvement. There was, however, a substantial increase in the percentage of the experimental group students who chose to answer an optional electrochemistry-related external exam question, indicating an increase in student confidence. Implications for future instruction are discussed.

Sulfoxides as an intramolecular sulfenylating agent for indoles and diverse applications of the sulfide-sulfoxide redox cycle in organic chemistry

This dissertation involves study of various aspects of sulfoxide chemistry. Specifically designed t-butyl and propanenitrile sulfoxides tethered to indole-2-carboxamide were used as a source of intramolecular sulfenylating agents to synthesize novel indolo[3,2-b]-1-5-benzothiazepinones which are structurally analogous to the other biologically active benzothiazepinones. This study reveals that the intramolecular cyclization of sulfoxide follows an electrophilic sulfenylation (Sulfoxide Electrophilic Sulfenylation, SES) reaction pathway. Evidence of the absence of sulfenic acid as a transient reactive intermediate in such intramolecular cyclization is also provided. In another study, sulfoxide was used as a “protecting group” of thioether to synthesize 8-membered, indole substituted, thiazocine-2-acetic acid derivative via Ring Closing Metathesis (RCM). Protection (oxidation) of inert (to RCM) sulfide to sulfoxide followed by RCM produced cyclized product in good yields. Deprotection (reduction) of sulfoxide was achieved using Lawessons Reagent (L.R.). Application of the sulfide-sulfoxide redox cycle to solve the existing difficulties in using RCM methodology to thioethers is illustrated. A new design of a “molecular brake”, based on the sulfide-sulfoxide redox cycle is described. N-Ar rotation in simple isoindolines is controlled by the oxidation state of the proximate sulfur atom. Sulfide [S(II)] shows “free” [brake OFF] N-Ar rotation whereas sulfoxide displayed hindered [brake ON] N-Ar rotation. The semi-empirical molecular orbital (PM3) calculations revealed concerted pyramidalization of amidic nitrogen with N-Ar rotation.

Improving learning by connecting chemistry curriculum to students' experiences

The purpose of the study was to design, implement, and assess the effects of a teaching unit about fuel sources and chemical energy on students’ learning. The unit was designed to incorporate students’ experiences in a way that was aligned with the Michigan High School Content Expectations. The study was completed with all of the students taking General Chemistry in a rural Michigan high school in the 2010-11 school year. There were 138 participants total. The participants were mostly Caucasian and the majority were in the 11th grade. Of these, 77 constituted the experimental group and were taught the unit. The additional 61 participants in the control group were given the posttest only. Data was derived from the results of pre/post tests, final assessment projects, and the researcher’s observations. A pretest that contained questions about the fuel sources was administered at the beginning of the unit. An identical posttest was administered at the completion of the unit. A final assessment project required students to choose the best fuel source for the area, and support their opinion with facts and data from their research or the learning activities and labs performed in class. The results of the study revealed that the teaching unit did produce significant learning gains in the experimental group. The results also indicated that the teaching unit added value to the current General Chemistry curriculum by expanding what students were learning. The instructional goals of the unit were aligned with the Michigan High School Content Expectations. The results also revealed that the students were able to learn to support their thinking and decisions with explanations based on the data and labs. These are essential science literacy skills. The study supported the view that connecting the required curriculum with students’ experiences and interests was effective, and that students can learn important science literacy skills, such as providing support for arguments and communicating scientific explanations, when given adequate teacher support.

The effect of an enriched learning community on success and retention in chemistry courses

Since the mid-1990s, the United States has experienced a shortage of scientists and engineers, declining numbers of students choosing these fields as majors, and low student success and retention rates in these disciplines. Learning theorists, educational researchers, and practitioners believe that learning environments can be created so that an improvement in the numbers of students who complete courses successfully could be attained (Astin, 1993; Magolda & Terenzini, n.d.; O'Banion, 1997). Learning communities do this by providing high expectations, academic and social support, feedback during the entire educational process, and involvement with faculty, other students, and the institution (Ketcheson & Levine, 1999). ^ A program evaluation of an existing learning community of science, mathematics, and engineering majors was conducted to determine the extent to which the program met its goals and was effective from faculty and student perspectives. The program provided laptop computers, peer tutors, supplemental instruction with and without computer software, small class size, opportunities for contact with specialists in selected career fields, a resource library, and Peer-Led Team Learning. During the two years the project has existed, success, retention, and next-course continuation rates were higher than in traditional courses. Faculty and student interviews indicated there were many affective accomplishments as well. ^ Success and retention rates for one learning community class ( n = 27) and one traditional class (n = 61) in chemistry were collected and compared using Pearson chi square procedures ( p = .05). No statistically significant difference was found between the two groups. Data from an open-ended student survey about how specific elements of their course experiences contributed to success and persistence were analyzed by coding the responses and comparing the learning community and traditional classes. Substantial differences were found in their perceptions about the lecture, the lab, other supports used for the course, contact with other students, helping them reach their potential, and their recommendation about the course to others. Because of the limitation of small sample size, these differences are reported in descriptive terms. ^

Academic Experience and Personal Abilities in Analytical Chemistry Education

Report published in the Proceedings of the National Conference on "Education and Research in the Information Society", Plovdiv, May, 2016

A Soft Computing Approach to Quality Evaluation of General Chemistry Learning in Higher Education

In contemporary societies higher education must shape individuals able to solve problems in a workable and simpler manner and, therefore, a multidisciplinary view of the problems, with insights in disciplines like psychology, mathematics or computer science becomes mandatory. Undeniably, the great challenge for teachers is to provide a comprehensive training in General Chemistry with high standards of quality, and aiming not only at the promotion of the student’s academic success, but also at the understanding of the competences/skills required to their future doings. Thus, this work will be focused on the development of an intelligent system to assess the Quality-of-General-Chemistry-Learning, based on factors related with subject, teachers and students.