{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T05:03:40Z","timestamp":1787029420542,"version":"build-2736575974"},"reference-count":38,"publisher":"MDPI AG","issue":"20","license":[{"start":{"date-parts":[[2023,10,12]],"date-time":"2023-10-12T00:00:00Z","timestamp":1697068800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Polymers"],"abstract":"<jats:p>The study focused on the evaluation of the influence of inhibitory compounds such as hydrogen sulfide (H2S) and methanol (CH3OH) on the catalytic productivity and properties of the polymers in the polymerization process with the Ziegler\u2013Natta catalyst. The investigation involved experimental measurements, computational calculations using DFT, and analysis of various parameters, such as molecular weight, melt flow index, xylene solubility, and reactivity descriptors. The results revealed a clear correlation between the concentration of H2S and methanol and the parameters evaluated. Increasing the H2S concentrations, on average by 0.5 and 1.0 ppm, resulted in a drastic decrease in the polymer\u2019s molecular weight. A directly proportional relationship was observed between the flow rate and the H2S concentration. In the case of methanol, the change occurred from 60 ppm, causing a sharp decrease in the molecular weight of the polymer, which translates into an increase in the fluidity index and a decrease in solubility in xylene. The presence of these inhibitors also affected the catalytic activity, causing a reduction in the productivity of the Ziegler\u2013Natta catalyst. Computational calculations provided a deeper understanding of the molecular behavior and reactivity of the studied compounds. The computational calculations yielded significantly lower results compared to other studies, with values of \u221269.0 and \u221243.9 kcal\/mol for the Ti-CH3OH and H2S interactions, respectively. These results indicate remarkable stability in the studied interactions and suggest that both adsorptions are highly favorable.<\/jats:p>","DOI":"10.3390\/polym15204061","type":"journal-article","created":{"date-parts":[[2023,10,12]],"date-time":"2023-10-12T03:14:32Z","timestamp":1697080472000},"page":"4061","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Evaluation of the Reactivity of Methanol and Hydrogen Sulfide Residues with the Ziegler\u2013Natta Catalyst during Polypropylene Synthesis and Its Effects on Polymer Properties"],"prefix":"10.3390","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2330-8580","authenticated-orcid":false,"given":"Joaqu\u00edn","family":"Hern\u00e1ndez-Fern\u00e1ndez","sequence":"first","affiliation":[{"name":"Chemistry Program, Department of Natural and Exact Sciences, San Pablo Campus, University of Cartagena, Cartagena 130015, Colombia"},{"name":"Chemical Engineering Program, School of Engineering, Universidad Tecnol\u00f3gica de Bolivar, Parque Industrial y Tecnol\u00f3gico Carlos V\u00e9lez Pombo, Km 1 V\u00eda Turbaco, Turbaco 130001, Colombia"},{"name":"Department of Natural and Exact Science, Universidad de la Costa, Barranquilla 30300, Colombia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2674-2876","authenticated-orcid":false,"given":"Rafael","family":"Gonz\u00e1lez-Cuello","sequence":"additional","affiliation":[{"name":"Food Packaging and Shelf-Life Research Group (FP & SL), Food Engineering Program, Universidad de Cartagena, Avenida del Consulado St. 30, Cartagena de Indias 130015, Colombia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0815-5317","authenticated-orcid":false,"given":"Rodrigo","family":"Ortega-Toro","sequence":"additional","affiliation":[{"name":"Food Packaging and Shelf-Life Research Group (FP & SL), Food Engineering Program, Universidad de Cartagena, Avenida del Consulado St. 30, Cartagena de Indias 130015, Colombia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2023,10,12]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"8533","DOI":"10.1021\/acs.jpcc.0c11273","article-title":"Mechanistic Study on Effect of Electron Donors in Propylene Polymerization Using the Ziegler\u2013Natta Catalyst","volume":"125","author":"Guo","year":"2021","journal-title":"J. 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