مشخصات پژوهش

صفحه نخست /Investigation the effect of ...
عنوان
Investigation the effect of water addition on intermolecular interactions of fatty acids‑based deep eutectic solvents by molecular dynamics simulations
نوع پژوهش مقاله چاپ شده
کلیدواژه‌ها
fatty acids, deep eutectic solvents ,molecular dynamics simulations
چکیده
Organic solvents are frequently used in the chemical industries. These solvents are used to dissolve, extract other materials and production of products such as detergents, pesticides and many other products. Many organic solvents are recognized as carcinogens and expensive materials. Deep eutectic solvents (DESs) are attracting widespread technological interest as a low-cost alternative to conventional organic ­solvents 1 . DESs are widely used in many fields such as dissolution and separation, electrochemistry, and materials ­preparation 2 . Deep eutectic solvents are binary mixtures that have a large depression of melting temperature at the eutectic point relative to the melting temperature of the pure ­components 3 . Most of the deep eutectic solvents proposed so far are a combination of a hydrogen bond donor (HBD) and a hydrogen bond acceptor (HBA) at a well-defined stoichiometric proportion. The formation of hydrogen bonding between HBA and HBD leads to the reduction of the melting temperature of the binary m ­ ixtures 4 . DESs are prepared from raw materials of natural origin such as amino acids, sugars, organic acids, alcohols and etc. 4 . Deep eutectic solvents are as diverse fields of application of solvents such as ionic liquids (ILs). ILs are the recommended first option for eco-friendly processes within the framework of green chemistry. ILs are considered as the best green solvents for various kinds of reaction such as alkylation, polymerization and preextractions, etc. 5 . Probably the most important feature of ILs is its inability the formation of a regular crystal network dut to the geometrical asymmetry of the c ­ ations 5 . These solvents have melting temperature falls or below ≤ 100 °C 6 . However, Compared to ILs, deep eutectic solvents have advantages such as high thermal and chemical stability, being cheaper to make, much less toxic, and easy preparation meth- ods. In 2003, deep eutectic solvents (DESs) based on choline chloride and urea were r
پژوهشگران سمانه بارانی پور (نفر اول)، جابر جهان بین سردرودی (نفر دوم)، علیرضا راستکار ابراهیم زاده (نفر سوم)، غلامرضا پازوکی (نفر چهارم)