• Bulletin of the Korean Chemical Society
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• 제33권11호
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• pp.3601-3606
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• 2012

Structural properties of a small hexapeptide molecule modeled after metal-binding siderochrome immersed in a room-temperature ionic liquid (RTIL) are studied via molecular dynamics simulations. We consider two different RTILs, each of which is made up of the same cationic species, 1-butyl-3-methylimidazolium ($BMI^+$), but different anions, hexafluorophosphate ($PF_6{^-}$) and chloride ($Cl^-$). We investigate how anionic properties such as hydrophobicity/hydrophilicity or hydrogen bonding capability affect the stabilization of the peptide in RTILs. To examine the effect of peptide-RTIL electrostatic interactions on solvation, we also consider a hypothetical solvent $BMI^0Cl^0$, a non-ionic counter-part of $BMI^+Cl^-$. For reference, we investigate solvation structures in common polar solvents, water and dimethylsulfoxide (DMSO). Comparison of $BMI^+Cl^-$ and $BMI^0Cl^0$ shows that electrostatic interactions of the peptide and RTIL play a significant role in the conformational fluctuation of the peptide. For example, strong electrostatic interactions between the two favor an extended conformation of the peptide by reducing its structural fluctuations. The hydrophobicity/hydrophilicity of RTIL anions also exerts a notable influence; specifically, structural fluctuations of the peptide become reduced in more hydrophilic $BMI^+Cl^-$, compared with those in more hydrophobic $BMI^+PF_6{^-}$. This is ascribed to the good hydrogen-bond accepting power of chloride anions, which enables them to bind strongly to hydroxyl groups of the peptide and to stabilize its structure. Transport properties of the peptide are examined briefly. Translations of the peptide significantly slow down in highly viscous RTILs.

• Bulletin of the Korean Chemical Society
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• 제30권8호
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• pp.1749-1754
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• 2009

Solubilities of carbon dioxide (C$O_2$) in a series of fluorine-free room temperature ionic liquids (RTILs), dialkylimidazolium dialkylphosphates and dialkylimidazolium alkylphosphites, were measured at 313∼333 K and pressures up to 5 MPa. Henry’s law coefficients as the solubility parameter of C$O_2$ in RTILs were derived from the isotherm of fugacity versus C$O_2$ mole fraction. The C$O_2$ solubility in a phosphorus-containing RTIL was found to increase with the increasing molar volume of the RTIL. In general, dialkylimidazolium dialkylphosphate exhibited higher absorption capacity than dialkylimidazolium alkylphosphite as long as the RTILs possess an identical cation. Among RTILs tested, 1-butyl-3-methylimidazolium dibutylphosphate [BMIM][B$u_2PO_4$] and 1-butyl-3-methylimidazolium butylphosphite [BMIM][BuHP$O_3$] exhibited similar Henry’s law coefficients to 1-butyl-3-methylimidazolium bis (trifluoromethylsulfonyl)imide ([BMIM][T$f_2$N]) and 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][B$F_4$]), respectively. The Krichevsky-Kasarnovsky equation was employed to derive the C$O_2$ solubility parameter (Henry’s law coefficient) from the solubility data measured at elevated pressures.

• Bulletin of the Korean Chemical Society
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• 제33권7호
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• pp.2295-2298
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• 2012

We describe herein a three-dimensionally diverse micropatterning of poly(lactic acid), as a biopolymer, using 1-butyl-3-methylimidazolium-based room-temperature ionic liquids (bmim-based RTILs), [bmim]X (X = $SbF_6$, $PF_6$, $NTf_2$, Cl). Utilizing the hydrophobic bmim-based RTILs, [bmim]X (X = $SbF_6$, $PF_6$, $NTf_2$) and a phase separation technique, we were able to produce white and opaque membranes with a three-dimensional structure closely packed with particles ($10-50{\mu}m$ in diameter). The particlulate structure, made by the assistance of [bmim]$NTf_2$ and DCM, interestingly transformed to a fibrous structure by using a cosolvent, e.g., DCM/$CF_3CH_2OH$. When we used an increased amount of [bmim]$NTf_2$, the particles were effectively detached and macrosized ($100-500{\mu}m$ in diameter) and the oval-shaped beads were obtained in a powder form. By varying the counter-anion type of the imidazolium-based RTIL, for example from $NTf_2^-$ to $Cl^-$, the particulate 3D-morphology was once more transformed to a porous structure. These reserch results could be potentially useful, as a method to fabricate particulate scaffolds, fibrous or porous scaffolds, and beads as a biopolymer device in diverse fields including drug delivery, tissue regeneration, and biomedical engineering.

• 한국에너지공학회:학술대회논문집
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• 한국에너지공학회 2010년도 춘계학술 발표회
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• pp.199-199
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• 2010

Polymeric membranes have been widely used to separate gas mixtures, such as $O_2/N_2,\;CO_2/CH_4,\;CO_2/N_2$, and olefin/paraffin. The permeation selectivity is the ratio between composition ratio at the permeate side and composition ratio at the feed side. In addition, the permeation selectivity is a product of solubility selectivity and diffusivity selectivity. We present a novel idea and describe its experimental result, which was achieved by preparing polymer gel films that included a room temperature ionic liquid (RTIL) in a polymer matrix. It is known that $CO_2$ can dissolve easily in imidazolium-based RTILs. We prepared polymer-ionic liquid gel films using an ionic liquid, 1-ethyl-3-methylimidazolium acetate ([emim] acetate, C-tri) and a host polymer, poly (vinyl acetate) (PVAc, Aldrich).

• 전기화학회지
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• 제14권3호
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• pp.152-156
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• 2011

A room temperature ionic liquid (RTIL) based on trihexyl (tetradecyl)phosphonium bis(trifluoromethanesulfonyl) imide ([$(C_6H_{13})_3P(C_{14}H_{29)}$] [TFSI];P66614TFSI) was synthesized and analyzed to determine their characteristics and properties. The bis(trifluoromethanesulfonyl)imide (TFSI) anion is widely studied as an ionic liquid (IL) forming anion which imparts many useful properties, notably electrochemical stability. Especially its electrochemical and physical characteristics for solvent of lithium ion battery were investigated in detail. $P_{66614}$ TFSI exhibits fairly low conductivity (0.89 mS $cm^{-1}$) and higher viscosity (298 K: 277 cP; 343 K: 39 cP) than other ionic liquids, but it exhibits a high thermal stability (over $400^{\circ}C$). Especially corrosion behavior on Al current collector was tested at room temperature and further it was confirmed that thermal resistivity for Al corrosion was highly increased in 1.0M LiTFSI/$P_{66614}$-TFSI electrolyte comparing with other RTILs by linear sweep thermometry.

• 전기화학회지
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• 제14권1호
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• pp.38-43
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• 2011

상온 이온성액체에 PC (Propylene carbonate)를 첨가하여 이온성액체(EMI-BF4)가 갖고있는 점도를 감소하고자 하였으며 EDLC에 적용하여 전기화학적 거동을 고찰하였다. 이온성액체는 충분한 이온을 가지고 있기 때문에 이온이 없는 PC를 첨가 하여도 용량구현에는 문제가 되지 않는다. 점도가 낮아짐에 따라 전해액 저항이 감소하였다. 또한 EDLC 적용시 대전류 방전용량을 확인한 결과 이온성액체에서는 $80\;mA/cm^2$의 전류밀도에서 73.1%의 용량을 유지하였지만 PC의 함량이 40 vol%인 경우 최고 81.9%까지 증가되었다.