Banca de QUALIFICAÇÃO: CAROLINA GURSKI OLANDA

Uma banca de QUALIFICAÇÃO de DOUTORADO foi cadastrada pelo programa.
STUDENT : CAROLINA GURSKI OLANDA
DATE: 22/07/2020
TIME: 15:00
LOCAL: Ambiente Virtual
TITLE:

DEVELOPMENT OF A GREEN CHEMISTRY PROGRAM FOR THE ANALYSIS OF ORGANIC SYNTHESES

KEY WORDS:

green chemistry, green metrics, IDLE

PAGES: 14
BIG AREA: Ciências Exatas e da Terra
AREA: Química
SUBÁREA: Química Orgânica
SPECIALTY: Estrutura, Conformação e Estereoquímica
SUMMARY:

Green chemistry (GC) involves the planning of chemical products and processes to reduce or eliminate the generation of hazardous substances. Its concept can be applied to new processes or in the adaptation of old procedures, which need adjustments to become more sustainable. Although green metrics exist, their determinations are not easy to obtain and can depend on many factors. In view of this situation, the search for techniques that can evaluate the “green degree” of chemical research processes in a fast and reliable way is indispensable nowadays, where sustainability and the development of products that do not harm human health and the environment must be priorities. This project aims to build a scale that allows the indication of the green level of a chemical process, which will serve as a basis for the development of a computational methodology capable of quickly and effectively identifying the parameters that harm or contribute to the green degree of chemical synthesis, allowing adjustments in the procedure in order to obtain a cleaner and more sustainable methodology. The program will be developed through IDLE (Integrated Development and Learning Environment) for Python, which allows the creation and editing of texts for assembling scripts, including features such as syntax highlighting, autocomplete and intelligent indentation, in addition to the execution and availability of Python resources and libraries. The Python installer contains the IDLE module by default. In this first proposed version, the basic parameters of GC to be analyzed will be: the toxicity and safety of the main solvents used in organic syntheses, energy efficiency, use of raw materials from renewable sources and atom savings.

BANKING MEMBERS:
Presidente - 2624418 - CLAUDIO EDUARDO RODRIGUES DOS SANTOS
Interna - 387189 - AUREA ECHEVARRIA AZNAR NEVES LIMA
Interno - 1221906 - LUCIANO RAMOS SUZART
Externo ao Programa - 1545317 - DUILIO TADEU DA CONCEICAO JUNIOR
Externo ao Programa - 18248 - ROBSON MARIANO DA SILVA