Demonstration of the Formation of the Caffeine-Dichloromethane-water Emulsion using Quantum Chemistry

International Journal of Advanced engineering, Management and Science Pub Date : 2018-11-01 DOI:10.22161/IJAEMS.4.11.7

M. Pérez, Verónica Rodríguez Soria, Laura Contreras Mioni

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引用次数: 4

Abstract

Researchers have been concerned with the subsequent study of caffeine extraction. The objective of this article was to demonstrate how the caffeine-dichloromethane-water emulsion is formed. We use the theory of the electron transfer coefficient (ETC) as the cornerstone of our research. All the simulations of the interactions of the substances involved were calculated with the hyperchem simulator. The emulsion is formed because the ETC = 36,196 of the caffeine-CH2Cl2 interaction is the lowest of the cross-band interactions of the mixture. It will expect massive amounts of caffeine emulsified with CH2Cl2 and water. In conclusion, the gravitational well and the quantum well of caffeine coincide in being the lowest of all the wells calculated. It means that both CH2Cl2 and H2O will not destroy caffeine. That is, caffeine will be kept as a pure substance even after extraction with these two solvents. Although CH2Cl2 extracts more caffeine, due to its low ETC, the product for human consumption can be contaminated.

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用量子化学证明咖啡因-二氯甲烷-水乳液的形成

研究人员一直在关注咖啡因提取的后续研究。本文的目的是演示如何形成咖啡因-二氯甲烷-水乳液。我们使用电子传递系数理论作为我们研究的基石。所有相关物质相互作用的模拟都是用超化学模拟器计算的。由于咖啡因- ch2cl2相互作用的ETC = 36196是混合物交叉带相互作用中最低的，所以形成了乳状液。它需要大量的咖啡因与CH2Cl2和水乳化。综上所述，咖啡因的引力阱和量子阱是所有计算的阱中最低的。这意味着CH2Cl2和H2O都不会破坏咖啡因。也就是说，即使在用这两种溶剂提取后，咖啡因仍将保持纯物质。虽然CH2Cl2萃取出更多的咖啡因，但由于其ETC较低，供人类食用的产品可能会受到污染。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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International Journal of Advanced engineering, Management and Science

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