Pub Date : 2017-03-01DOI: 10.6000/1929-5030.2017.06.01.2
S. Tomitaka, Jinzhi Wu, Masanori Nata, S. Ujiie
Ionic liquid-crystalline materials (ILCMs) with ammonium ions were synthesized. Their thermal and orientational properties were studied by polarizing microscopy, differential scanning calorimetry, and X-ray diffraction (XRD). The ILCMs formed the smectic A phase on heating and cooling. A focal conic fan texture was observed in the phase. In addition, the ILCMs spontaneously formed a perpendicular alignment in the smectic A phase. The XRD patterns of the ILCMs consisted of sharp reflections in the small-angle region and broad band in the wide-angle region in the smectic A phase.
{"title":"Anisotropic Fluid Phase Formed by Ionic Liquid-Crystalline Materials with Ammonium Ions","authors":"S. Tomitaka, Jinzhi Wu, Masanori Nata, S. Ujiie","doi":"10.6000/1929-5030.2017.06.01.2","DOIUrl":"https://doi.org/10.6000/1929-5030.2017.06.01.2","url":null,"abstract":"Ionic liquid-crystalline materials (ILCMs) with ammonium ions were synthesized. Their thermal and orientational properties were studied by polarizing microscopy, differential scanning calorimetry, and X-ray diffraction (XRD). The ILCMs formed the smectic A phase on heating and cooling. A focal conic fan texture was observed in the phase. In addition, the ILCMs spontaneously formed a perpendicular alignment in the smectic A phase. The XRD patterns of the ILCMs consisted of sharp reflections in the small-angle region and broad band in the wide-angle region in the smectic A phase.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"9 1","pages":"23-27"},"PeriodicalIF":0.0,"publicationDate":"2017-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79504887","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2016-12-09DOI: 10.6000/1929-5030.2016.05.04.3
K. Elmerzouki, I. Bimaghra, A. Khalidi
The composition of wastewater from the textile industry varies enormously from one moment to another depending on the nature of the dyes used, the type of tissue, methods used and the concentration of added chemicals. In most cases the dye effluents are characterized by strong color, high temperatures, high and random values of pH, amounts of suspended solids and COD-concentrations close to the limit values set by the draft Moroccan standards. The study of turbidity indicates a variation between 120 and 190 NTU for the three samples. As for their conductivity varies between 5,2 and 20 mS.cm -1 . Moreover their pH varies in the field of basic pH. Measuring the temperature of these three samples showed values varying between 25 and 30 ° C. The levels of suspended solids range between 146,8 and 514,7 mg L -1 . The results show that the measured absorbance at 436 nm decreased to 2,020 A and it stabilizes at this value. To the absorbance of the color measured at 525 nm decreases to 3,072 A and it stabilizes. The absorbance measured at the wavelength 620 nm decreases and reaches a minimum value of 1, 918 A after ten hours.
根据所用染料的性质、组织的类型、使用的方法和添加的化学物质的浓度，纺织工业废水的组成在不同时刻变化很大。在大多数情况下，染料废水的特点是颜色浓烈、温度高、pH值高且随机、悬浮固体量和cod浓度接近摩洛哥标准草案规定的极限值。浊度的研究表明，三个样品的变化在120和190 NTU之间。它们的电导率在5、2和20 ms cm -1之间变化。此外，它们的pH值随碱性pH值的变化而变化。测量这三种样品的温度在25至30 °c之间变化，悬浮固体的水平在146,8至514,7 mg L -1之间。结果表明，在436 nm处测得的吸光度下降到2020a，并稳定在此值。在525 nm处测得的颜色吸光度降至3072 A，并趋于稳定。在波长620 nm处测得的吸光度在10小时后减小，达到最小值1,918 a。
{"title":"Removal of Dyes of Textile Rejects by Activated Carbon","authors":"K. Elmerzouki, I. Bimaghra, A. Khalidi","doi":"10.6000/1929-5030.2016.05.04.3","DOIUrl":"https://doi.org/10.6000/1929-5030.2016.05.04.3","url":null,"abstract":"The composition of wastewater from the textile industry varies enormously from one moment to another depending on the nature of the dyes used, the type of tissue, methods used and the concentration of added chemicals. In most cases the dye effluents are characterized by strong color, high temperatures, high and random values of pH, amounts of suspended solids and COD-concentrations close to the limit values set by the draft Moroccan standards. The study of turbidity indicates a variation between 120 and 190 NTU for the three samples. As for their conductivity varies between 5,2 and 20 mS.cm -1 . Moreover their pH varies in the field of basic pH. Measuring the temperature of these three samples showed values varying between 25 and 30 ° C. The levels of suspended solids range between 146,8 and 514,7 mg L -1 . The results show that the measured absorbance at 436 nm decreased to 2,020 A and it stabilizes at this value. To the absorbance of the color measured at 525 nm decreases to 3,072 A and it stabilizes. The absorbance measured at the wavelength 620 nm decreases and reaches a minimum value of 1, 918 A after ten hours.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"47 1","pages":"178-183"},"PeriodicalIF":0.0,"publicationDate":"2016-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86009150","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2016-12-09DOI: 10.6000/1929-5030.2016.05.04.2
Nazia Malik, Azhar U. Khan, S. Naqvi, T. Arfin
The present paper reflects the ultrasonic investigations for exploring the inter-ionic interactions of various concentrations of a-amino acids such as L-Arginine, L-lysine monohydrochloride, and L -histidine in aqueous solutions of urea over a wide ranges of temperatures (298.15 to 323.15) K under atmospheric pressure. It also represent the detail showing that molecular interactions between the a-amino acids and urea has much dissociation of proteins in the solvent mixture. The study of ultrasonic speed  and sound velocity were successfully preformed on the liquid ternary mixtures. With the help of the above mentioned parameter, the values of isentropic compressibility, change in isentropic compressibility , relative change in isentropic compressibility , relative association , specific acoustic impedance , and apparent molal isentropic compressibility  were calculated. These parameters have been examined in term of the molecular associations such as ion-ion, ion-solvent, solute-solvent, solute-solute etc., and briefly described in terms of the structure-making ability corresponding to a-amino acids in the urea. Efforts have been taken to explore the dependency of the outcomes related to temperature and concentration.
{"title":"Ultrasonic Investigation of α - Amino Acids with Aqueous Solution of Urea at Different Temperatures: A Physicochemical Study","authors":"Nazia Malik, Azhar U. Khan, S. Naqvi, T. Arfin","doi":"10.6000/1929-5030.2016.05.04.2","DOIUrl":"https://doi.org/10.6000/1929-5030.2016.05.04.2","url":null,"abstract":"The present paper reflects the ultrasonic investigations for exploring the inter-ionic interactions of various concentrations of a-amino acids such as L-Arginine, L-lysine monohydrochloride, and L -histidine in aqueous solutions of urea over a wide ranges of temperatures (298.15 to 323.15) K under atmospheric pressure. It also represent the detail showing that molecular interactions between the a-amino acids and urea has much dissociation of proteins in the solvent mixture. The study of ultrasonic speed  and sound velocity were successfully preformed on the liquid ternary mixtures. With the help of the above mentioned parameter, the values of isentropic compressibility, change in isentropic compressibility , relative change in isentropic compressibility , relative association , specific acoustic impedance , and apparent molal isentropic compressibility  were calculated. These parameters have been examined in term of the molecular associations such as ion-ion, ion-solvent, solute-solvent, solute-solute etc., and briefly described in terms of the structure-making ability corresponding to a-amino acids in the urea. Efforts have been taken to explore the dependency of the outcomes related to temperature and concentration.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"219 1","pages":"168-177"},"PeriodicalIF":0.0,"publicationDate":"2016-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76613308","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2016-12-09DOI: 10.6000/1929-5030.2016.05.04.4
K. Elmerzouki, I. Bimaghra, A. Khalidi
Among the dyes, the blue disperse and reactive orange have well recognized toxicities and dissemination facilities in the different compartments of the environment. Various regulations set maximum permissible levels of these dyes in both drinking water and industrial discharges. In order to comply with these various standards, many depollution techniques have been developed in recent years. Our choice is to carry out the adsorption of activated carbon based wood because this adsorption has main advantages of being more effective and easy to implement. Furthermore, the use of less expensive non-conventional adsorbents guarantees its economic feasibility. However, this elimination is affected by several parameters related to the carbon atom, to the solution and the active suspension. The adsorption results for Disperse Blue and orange reactive with activated charcoal showed adsorption capacity up to 4.8 mg / g and 12.4 mg / g. The study showed that the adsorption of activated carbon prepared from wood is more effective for the removal of these two wastewater dyes.
{"title":"Adsorption Dyes in Aqueous Solutions by Activated Carbon-Based White Wood","authors":"K. Elmerzouki, I. Bimaghra, A. Khalidi","doi":"10.6000/1929-5030.2016.05.04.4","DOIUrl":"https://doi.org/10.6000/1929-5030.2016.05.04.4","url":null,"abstract":"Among the dyes, the blue disperse and reactive orange have well recognized toxicities and dissemination facilities in the different compartments of the environment. Various regulations set maximum permissible levels of these dyes in both drinking water and industrial discharges. In order to comply with these various standards, many depollution techniques have been developed in recent years. Our choice is to carry out the adsorption of activated carbon based wood because this adsorption has main advantages of being more effective and easy to implement. Furthermore, the use of less expensive non-conventional adsorbents guarantees its economic feasibility. However, this elimination is affected by several parameters related to the carbon atom, to the solution and the active suspension. The adsorption results for Disperse Blue and orange reactive with activated charcoal showed adsorption capacity up to 4.8 mg / g and 12.4 mg / g. The study showed that the adsorption of activated carbon prepared from wood is more effective for the removal of these two wastewater dyes.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"1 1","pages":"184-187"},"PeriodicalIF":0.0,"publicationDate":"2016-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79777190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2016-12-09DOI: 10.6000/1929-5030.2016.05.04.1
M. Matsumiya, R. Kazama, K. Tsunashima
The coordination states of the divalent and trivalent rare earth complexes in ionic liquid, triethyl-pentyl-phosphonium bis(trifluoromethyl-sulfonyl) amide [P 2225 ][TFSA] were investigated by Raman spectroscopy and DFT calculation. The concentration dependences of the deconvoluted Raman spectra were investigated for 0.23–0.45 mol kg - 1 RE(III), RE=Nd and Dy, and the mixed sample of RE(II)/RE(III)=1/3 at the molar ratio in [P 2225 ][TFSA]. According to the conventional analysis, the solvation number; n of rare earth complexes in [P 2225 ][TFSA] were determined to be n =4.06 for Nd(II), 5.01 for Nd(III), 4.12 for Dy(II) and 5.00 for Dy(III). Thermodynamic properties such as I” iso G , I” iso H and I” iso S for the isomerism of [TFSA] - from trans- to cis- isomer in bulk and the first solvation sphere of the centered [RE 3+ ] cation in [P 2225 ][TFSA] were evaluated from the temperature dependence in the range of 298-398K. I” iso G (bulk), I” iso H (bulk) and T I” iso S (bulk) at 298 K were -1.06, 6.86, and 7.92 kJ mol - 1 , respectively. The trans -[TFSA] - was dominant in the enthalpy due to the positive value of I” iso H (bulk) and T I” iso S (bulk) was slightly larger than I” iso H (bulk), so that cis -[TFSA] - was revealed to be an entropy-controlled in [P 2225 ][TFSA]. On the other hand, in the first solvation sphere of [RE 3+ ] cation, I” iso H (Nd)(-47.39 kJ mol - 1 ) increased to the negative value remarkably and implied that the cis -[TFSA] - isomers were stabilized for enthalpy. I” iso H (Nd) contributed to the remarkable decrease in the I” iso G (Nd) and this result clearly indicated that the cis -[TFSA] - bound to Nd 3+ cation was preferred and the coordination state of [Dy (III) ( cis -TFSA) 5 ] 2 - was stable in [P 2225 ][TFSA] The optimized geometries and the bonding energies of [RE (II) ( cis -TFSA) 4 ] 2 - and [RE (III) ( cis -TFSA) 5 ] 2 - clusters were also investigated from DFT calculation with ADF package. The bonding energy; I” E b was calculated from I” E b = E tot (cluster) – E tot (RE 2,3+ ) – nE tot ([TFSA] - ). I” E b ([Nd (II) ( cis- TFSA) 4 ] 2 - ), I” E b ([Nd (III) ( cis- TFSA) 5 ] 2 - ), I” E b ([Dy (II) ( cis- TFSA) 4 ] 2 - ) and I” E b ([Dy (III) ( cis- TFSA) 5 ] 2 - ) were -2241.6, -4362.3, -2135.4 and -4284.2 kJmol - 1 , respectively. This result was revealed that [RE (III) ( cis- TFSA) 5 ] 2 - cluster formed stronger coordination bonds than [Dy (II) ( cis- TFSA) 4 ] 2 - cluster. The average atomic charges and the bond distances of these clusters were consistent with the thermodynamic properties.
用拉曼光谱和DFT计算研究了离子液体三乙基戊基磷二(三氟甲基磺酰基)酰胺[p2225][TFSA]中二价和三价稀土配合物的配位态。研究了在[P 2225][TFSA]中，当RE(II)/RE(III)=1/3摩尔比为0.23 - 0.45 mol kg - 1的RE(III)、RE=Nd和Dy时反卷积拉曼光谱的浓度依赖性。按常规分析，溶剂化数;[P 2225][TFSA]中稀土配合物的n = Nd(II)为4.06,Nd(III)为5.01,Dy(II)为4.12,Dy(III)为5.00。用298 ~ 398k的温度依赖性评价了[TFSA] -从反式到顺式异构体的I ' iso G、I ' iso H和I ' iso S等热力学性质和[p2225][TFSA]中中心[re3 +]阳离子的第一溶剂化球。在298 K下，I ' iso G(体积)、I ' iso H(体积)和I ' iso S(体积)分别为-1.06、6.86和7.92 kJ mol -1。[P 2225][TFSA]中，反式-[TFSA] -在焓中占主导地位，因为I ' iso H(体积)为正值，而I ' iso S(体积)略大于I ' iso H(体积)，因此顺式-[TFSA] -在[P 2225][TFSA]中显示为熵控型。另一方面，在[RE 3+]阳离子的第一溶剂球中，I′iso H (Nd)(-47.39 kJ mol - 1)显著增大至负值，表明顺式-[TFSA] -异构体的焓稳定。我”iso H (Nd)导致了显著的减少我”iso G (Nd)和这个结果清楚地表明,顺式- (TFSA)绑定到Nd 3 +阳离子是首选和协调的状态(Dy (III) (cis -TFSA) 5) 2 -(2225页)(TFSA)稳定的优化几何图形,结合能量(RE (II) (cis -TFSA) 4] 2 - (RE (III) (cis -TFSA) 5) 2 -从DFT计算集群也调查了ADF包。键能;由I ' E b = E tot (cluster) - E tot (re2,3 +) - nE tot ([TFSA] -)计算得到I ' E b。I ' E b ([Nd (II) (cis- TFSA) 4] 2 -)、I ' E b ([Nd (III) (cis- TFSA) 5] 2 -)、I ' E b ([Dy (II) (cis- TFSA) 4] 2 -)和I ' E b ([Dy (III) (cis- TFSA) 5] 2 -)分别为-2241.6、-4362.3、-2135.4和-4284.2 kJmol - 1。结果表明，[RE (III) (cis- TFSA) 5] 2 -簇比[Dy (II) (cis- TFSA) 4] 2 -簇形成了更强的配位键。这些团簇的平均原子电荷和键距与热力学性质一致。
{"title":"Analysis of Thermodynamic Properties for Rare Earth Complexes in Ionic Liquids by Raman Spectroscopy and DFT Calculation","authors":"M. Matsumiya, R. Kazama, K. Tsunashima","doi":"10.6000/1929-5030.2016.05.04.1","DOIUrl":"https://doi.org/10.6000/1929-5030.2016.05.04.1","url":null,"abstract":"The coordination states of the divalent and trivalent rare earth complexes in ionic liquid, triethyl-pentyl-phosphonium bis(trifluoromethyl-sulfonyl) amide [P 2225 ][TFSA] were investigated by Raman spectroscopy and DFT calculation. The concentration dependences of the deconvoluted Raman spectra were investigated for 0.23–0.45 mol kg - 1 RE(III), RE=Nd and Dy, and the mixed sample of RE(II)/RE(III)=1/3 at the molar ratio in [P 2225 ][TFSA]. According to the conventional analysis, the solvation number; n of rare earth complexes in [P 2225 ][TFSA] were determined to be n =4.06 for Nd(II), 5.01 for Nd(III), 4.12 for Dy(II) and 5.00 for Dy(III). Thermodynamic properties such as I” iso G , I” iso H and I” iso S for the isomerism of [TFSA] - from trans- to cis- isomer in bulk and the first solvation sphere of the centered [RE 3+ ] cation in [P 2225 ][TFSA] were evaluated from the temperature dependence in the range of 298-398K. I” iso G (bulk), I” iso H (bulk) and T I” iso S (bulk) at 298 K were -1.06, 6.86, and 7.92 kJ mol - 1 , respectively. The trans -[TFSA] - was dominant in the enthalpy due to the positive value of I” iso H (bulk) and T I” iso S (bulk) was slightly larger than I” iso H (bulk), so that cis -[TFSA] - was revealed to be an entropy-controlled in [P 2225 ][TFSA]. On the other hand, in the first solvation sphere of [RE 3+ ] cation, I” iso H (Nd)(-47.39 kJ mol - 1 ) increased to the negative value remarkably and implied that the cis -[TFSA] - isomers were stabilized for enthalpy. I” iso H (Nd) contributed to the remarkable decrease in the I” iso G (Nd) and this result clearly indicated that the cis -[TFSA] - bound to Nd 3+ cation was preferred and the coordination state of [Dy (III) ( cis -TFSA) 5 ] 2 - was stable in [P 2225 ][TFSA] The optimized geometries and the bonding energies of [RE (II) ( cis -TFSA) 4 ] 2 - and [RE (III) ( cis -TFSA) 5 ] 2 - clusters were also investigated from DFT calculation with ADF package. The bonding energy; I” E b was calculated from I” E b = E tot (cluster) – E tot (RE 2,3+ ) – nE tot ([TFSA] - ). I” E b ([Nd (II) ( cis- TFSA) 4 ] 2 - ), I” E b ([Nd (III) ( cis- TFSA) 5 ] 2 - ), I” E b ([Dy (II) ( cis- TFSA) 4 ] 2 - ) and I” E b ([Dy (III) ( cis- TFSA) 5 ] 2 - ) were -2241.6, -4362.3, -2135.4 and -4284.2 kJmol - 1 , respectively. This result was revealed that [RE (III) ( cis- TFSA) 5 ] 2 - cluster formed stronger coordination bonds than [Dy (II) ( cis- TFSA) 4 ] 2 - cluster. The average atomic charges and the bond distances of these clusters were consistent with the thermodynamic properties.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"16 1","pages":"157-167"},"PeriodicalIF":0.0,"publicationDate":"2016-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78236601","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2016-10-17DOI: 10.6000/1929-5030.2016.05.03.4
K. Elmerzouki, I. Bimaghra, A. Khalidi
In order to prevent a simple pollution transfer and for the purpose of valorization of the process of activated carbon treatment, this one, saturated with pollutants should not increase the pollution mass of household waste. Indeed, an adsorbent offers a real interest only if it can be easily regenerated. This work addresses to the becoming the activated carbon after being saturation with hexavalent chromium. The activated carbon should not be stored directly, since the acid rain waters might leach some heavy metals. This would contaminate the soil and water resources. For this, it should be treated after use and returned to its original structure and chemical composition for an eventual future use with a good yield of re-adsorption. Within this work, the use of a base (KOH) has recovered an amount of hexavalent chromium retained by the activated carbon CAB. This one, regenerated was again used to secure the hexavalent chromium ions during several cycles. Regeneration test results have shown that the efficacy of CAB remains almost constant during the first four cycles of reuse and then decreases during the fifth cycle.
{"title":"Regeneration of Activated Carbon Sutured Hexavalent Chrome","authors":"K. Elmerzouki, I. Bimaghra, A. Khalidi","doi":"10.6000/1929-5030.2016.05.03.4","DOIUrl":"https://doi.org/10.6000/1929-5030.2016.05.03.4","url":null,"abstract":"In order to prevent a simple pollution transfer and for the purpose of valorization of the process of activated carbon treatment, this one, saturated with pollutants should not increase the pollution mass of household waste. Indeed, an adsorbent offers a real interest only if it can be easily regenerated. This work addresses to the becoming the activated carbon after being saturation with hexavalent chromium. The activated carbon should not be stored directly, since the acid rain waters might leach some heavy metals. This would contaminate the soil and water resources. For this, it should be treated after use and returned to its original structure and chemical composition for an eventual future use with a good yield of re-adsorption. Within this work, the use of a base (KOH) has recovered an amount of hexavalent chromium retained by the activated carbon CAB. This one, regenerated was again used to secure the hexavalent chromium ions during several cycles. Regeneration test results have shown that the efficacy of CAB remains almost constant during the first four cycles of reuse and then decreases during the fifth cycle.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"40 1","pages":"139-142"},"PeriodicalIF":0.0,"publicationDate":"2016-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81138670","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2016-10-17DOI: 10.6000/1929-5030.2016.05.03.5
S. O. Idowu, M. Adeyemo
There is an urgent need for a biorelevant antioxidant capacity assay, which is crucial to quality-assured polyphenol dietary supplements. We hypothesize that the 'position', more than the 'number' of phenolic groups, is critical to the antioxidant capacity of polyphenols. Computational Antioxidant Capacity Simulation (CAOCS) assay was implemented to test the hypothesis, while refinement of existing assay protocol was aimed at reducing the cost of analysis. The antioxidant capacities of resorcinol, catechol and hydroquinone (3 diphenol positional isomers) were determined by CAOCS assay. Photometric titration experiments and associated informatics that constitute CAOCS assay were evaluated through the use of small increments ( catechol > resorcinol, (60/g, 46/g and 28/g respectively). The relative bond strength of the phenolic groups, which governs the ranking, was accounted for by structural theory. Optimal 250 µL increment of antioxidant solution afforded a 75% reduction of the amount of antioxidant required in the original assay protocol, where a 1 mL increment was used. CAOCS values vary widely for the positional isomers. The unique structure-antioxidant capacity-correlation (SACC) which confirmed our hypothesis is a signature of biorelevance. Significantly, microliter increments reduced the amount of active material required and hence, the cost of analysis. The methodology is thus attractive for profiling exotic and more expensive polyphenols. CAOCS assay holds a great promise of enabling quality-by-design (QbD) of polyphenol dietary supplements.
{"title":"Computational Antioxidant Capacity Simulation (CAOCS) Assay of Catechol, Resorcinol and Hydroquinone","authors":"S. O. Idowu, M. Adeyemo","doi":"10.6000/1929-5030.2016.05.03.5","DOIUrl":"https://doi.org/10.6000/1929-5030.2016.05.03.5","url":null,"abstract":"There is an urgent need for a biorelevant antioxidant capacity assay, which is crucial to quality-assured polyphenol dietary supplements. We hypothesize that the 'position', more than the 'number' of phenolic groups, is critical to the antioxidant capacity of polyphenols. Computational Antioxidant Capacity Simulation (CAOCS) assay was implemented to test the hypothesis, while refinement of existing assay protocol was aimed at reducing the cost of analysis. The antioxidant capacities of resorcinol, catechol and hydroquinone (3 diphenol positional isomers) were determined by CAOCS assay. Photometric titration experiments and associated informatics that constitute CAOCS assay were evaluated through the use of small increments ( catechol > resorcinol, (60/g, 46/g and 28/g respectively). The relative bond strength of the phenolic groups, which governs the ranking, was accounted for by structural theory. Optimal 250 µL increment of antioxidant solution afforded a 75% reduction of the amount of antioxidant required in the original assay protocol, where a 1 mL increment was used. CAOCS values vary widely for the positional isomers. The unique structure-antioxidant capacity-correlation (SACC) which confirmed our hypothesis is a signature of biorelevance. Significantly, microliter increments reduced the amount of active material required and hence, the cost of analysis. The methodology is thus attractive for profiling exotic and more expensive polyphenols. CAOCS assay holds a great promise of enabling quality-by-design (QbD) of polyphenol dietary supplements.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"2 1","pages":"143-156"},"PeriodicalIF":0.0,"publicationDate":"2016-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85919519","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2016-10-17DOI: 10.6000/1929-5030.2016.05.03.1
Pau Casademont-Lanzat, B. García-Jarana, Xiaowei Chen, Carol Carreño, J. Sánchez-Oneto, J. R. Portela, E. M. Ossa
This work studies the use of olive oil mill waste ( OMW ) treated as subcritical or supercritical water to produce both, a biofuel by liquefaction and a gas fuel by gasification. The increasing amount of OMW , both liquid and solid, is becoming a serious environmental problem. This wastewater is highly resistant to biodegradation and contains a wide variety of compounds such as polyphenols, polyoils, organic acids, etc, that require depuration treatments to remove the odour and pollutant load before being discharged. This work studies both, liquefaction and gasification of OMW streams in subcritical and supercritical water in different batch reactors at temperatures between 200 and 530 ÂoC and pressures between 150 and 250 bar. This study also tests the effectiveness of various types of homogeneous (KOH 0.01 g/g sample dry ) and heterogeneous catalysts (TiO 2 , V 2 O 5 and Au-Pd 0.1-0.5 g/g sample dry ) for supercritical water gasification (SCWG) and studied the way they affect biomass conversion yields. It also covers the effect that the use of different organic compound concentrations (23, 35, and 80 g O 2 /l of chemical oxygen demand concentration (COD)) and compositions (mixtures of solid and liquid OMW ) has on energy production results. A maximum of 82% oil yield was obtained from the hydrothermal liquefaction of OMW under optimum conditions (330 ÂoC, 150 bar, 23 g O 2 /l as initial concentration and 30 minutes reaction time). Meanwhile, a yield of 88.6 mol H 2 /kg OMW dry was obtained when Au-Pd was used as a catalyst for the gasification of OMW supercritical water.
这项工作研究了使用橄榄油厂废物(OMW)作为亚临界或超临界水来生产液化生物燃料和气化气体燃料。液体和固体垃圾的数量不断增加，正成为一个严重的环境问题。这种废水具有很强的生物降解能力，含有多种化合物，如多酚、多元油、有机酸等，在排放前需要进行净化处理以去除气味和污染物负荷。本研究在不同的间歇反应器中，在温度为200 - 530 ÂoC和压力为150 - 250 bar的亚临界和超临界水中研究了OMW流的液化和气化。本研究还测试了各种类型的均相催化剂(KOH 0.01 g/g干样)和非均相催化剂(tio2、v2o和Au-Pd 0.1-0.5 g/g干样)对超临界水气化(SCWG)的有效性，并研究了它们对生物质转化率的影响方式。它还涵盖了使用不同有机化合物浓度(23、35和80 g o2 /l的化学需氧量浓度(COD))和成分(固体和液体OMW的混合物)对能源生产结果的影响。在最佳条件下(330 ÂoC, 150 bar，初始浓度23 g o2 /l，反应时间30 min)， OMW水热液化的油收率最高可达82%。同时，以Au-Pd为催化剂气化OMW超临界水，产率为88.6 mol H 2 /kg OMW干。
{"title":"Energy Production by Hydrothermal Treatment of Liquid and Solid Waste from Industrial Olive Oil Production","authors":"Pau Casademont-Lanzat, B. García-Jarana, Xiaowei Chen, Carol Carreño, J. Sánchez-Oneto, J. R. Portela, E. M. Ossa","doi":"10.6000/1929-5030.2016.05.03.1","DOIUrl":"https://doi.org/10.6000/1929-5030.2016.05.03.1","url":null,"abstract":"This work studies the use of olive oil mill waste ( OMW ) treated as subcritical or supercritical water to produce both, a biofuel by liquefaction and a gas fuel by gasification. The increasing amount of OMW , both liquid and solid, is becoming a serious environmental problem. This wastewater is highly resistant to biodegradation and contains a wide variety of compounds such as polyphenols, polyoils, organic acids, etc, that require depuration treatments to remove the odour and pollutant load before being discharged. This work studies both, liquefaction and gasification of OMW streams in subcritical and supercritical water in different batch reactors at temperatures between 200 and 530 ÂoC and pressures between 150 and 250 bar. This study also tests the effectiveness of various types of homogeneous (KOH 0.01 g/g sample dry ) and heterogeneous catalysts (TiO 2 , V 2 O 5 and Au-Pd 0.1-0.5 g/g sample dry ) for supercritical water gasification (SCWG) and studied the way they affect biomass conversion yields. It also covers the effect that the use of different organic compound concentrations (23, 35, and 80 g O 2 /l of chemical oxygen demand concentration (COD)) and compositions (mixtures of solid and liquid OMW ) has on energy production results. A maximum of 82% oil yield was obtained from the hydrothermal liquefaction of OMW under optimum conditions (330 ÂoC, 150 bar, 23 g O 2 /l as initial concentration and 30 minutes reaction time). Meanwhile, a yield of 88.6 mol H 2 /kg OMW dry was obtained when Au-Pd was used as a catalyst for the gasification of OMW supercritical water.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"29 1","pages":"103-116"},"PeriodicalIF":0.0,"publicationDate":"2016-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90981694","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2016-10-17DOI: 10.6000/1929-5030.2016.05.03.2
N. Machado, D. A. Castro, L. S. Queiroz, Mirentxu Santos, C. D. Costa
This work aims to investigate the effect of temperature on the process performance of hydrothermal processing (HTC) of corn Stover with subcritical H 2 O and on the morphology of solid products. The experiments were carried out at 200, 225 and 250 ÂoC, reaction time of 240 minutes, heating rate of 2.0 ÂoC/min, and biomass to water ratio of 1:10, using a pilot scale stirred tank reactor (STR) of 5 gallon, operating in batch mode. The process performance analyzed by computing the yields of solid and liquid reaction products (RLP). The aqueous phase (H 2 O + RLP) was physicochemical analyzed for pH and total carboxylic acids, expressed as total acetic acid content. The chemical compositions of carboxylic acids, furfural, and hydroxymethylfurfural (HMF) in the aqueous phase determined by GC-MS and HPLC. The results showed solid yields ranging from 57.39 to 35.82% (wt.), and liquid reaction products (RLP) yields ranging from 39.53 to 54.59% (wt.). The solid phase products were characterized by scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), and X-ray diffraction (XRD). The chemically activated (2.0 M NaOH) solid phase energy material obtained by HTC at 250°C, applied as adsorbent to investigate the capacity and/or efficiency to adsorb acetic acid from 1.0 to 4.0 g/L model solutions at 25 °C. The solid phase yield decreases along with the temperature, showing an inflection region between 200 and 225 °C, whereas a drastic change takes place, while that of liquid phase increases, showing also a drastic change between 200 and 225 °C. The total acetic acid content of aqueous phase varied from 4064 to 5387 mg/L, while the pH from 3.77 to 3.91. The GC analysis identified the presence of volatile carboxylic acids, particularly acetic acid, in concentrations between 4020 and 5040 mg/L. HPLC identified the presence of furfural and hydroxymethylfurfural, whose concentrations decrease exponentially and linearly along with the temperature between 686.7 and 0.0, and 443.9 and 0.0 mg/L, respectively, being both compounds not detectable at 250 °C. The elemental/ultimate analysis of solid products shows that carbon content increases, while the oxygen and hydrogen contents decrease, along with the temperature. The H/C and O/C ratios decrease linearly as process temperature increases, and the high heating value (HHV) of solid reaction products, an energy densified material, changes sharply between 200 and 225 °C, showing an increase with temperature. The SEM, EDX, and XDR indicates a change on the morphology and mineralogical phases present in solid reaction products with temperature, particularly at 250 °C. The activated solid phase has proven to be very selective to adsorb acetic acid, showing that recovery of acetic acid from hydrothermal carbonization/liquefaction aqueous solutions is feasible by using a multistage-stage adsorption process in series.
{"title":"Production and Characterization of Energy Materials with Adsorbent Properties by Hydrothermal Processing of Corn Stover with Subcritical H2O","authors":"N. Machado, D. A. Castro, L. S. Queiroz, Mirentxu Santos, C. D. Costa","doi":"10.6000/1929-5030.2016.05.03.2","DOIUrl":"https://doi.org/10.6000/1929-5030.2016.05.03.2","url":null,"abstract":"This work aims to investigate the effect of temperature on the process performance of hydrothermal processing (HTC) of corn Stover with subcritical H 2 O and on the morphology of solid products. The experiments were carried out at 200, 225 and 250 ÂoC, reaction time of 240 minutes, heating rate of 2.0 ÂoC/min, and biomass to water ratio of 1:10, using a pilot scale stirred tank reactor (STR) of 5 gallon, operating in batch mode. The process performance analyzed by computing the yields of solid and liquid reaction products (RLP). The aqueous phase (H 2 O + RLP) was physicochemical analyzed for pH and total carboxylic acids, expressed as total acetic acid content. The chemical compositions of carboxylic acids, furfural, and hydroxymethylfurfural (HMF) in the aqueous phase determined by GC-MS and HPLC. The results showed solid yields ranging from 57.39 to 35.82% (wt.), and liquid reaction products (RLP) yields ranging from 39.53 to 54.59% (wt.). The solid phase products were characterized by scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), and X-ray diffraction (XRD). The chemically activated (2.0 M NaOH) solid phase energy material obtained by HTC at 250°C, applied as adsorbent to investigate the capacity and/or efficiency to adsorb acetic acid from 1.0 to 4.0 g/L model solutions at 25 °C. The solid phase yield decreases along with the temperature, showing an inflection region between 200 and 225 °C, whereas a drastic change takes place, while that of liquid phase increases, showing also a drastic change between 200 and 225 °C. The total acetic acid content of aqueous phase varied from 4064 to 5387 mg/L, while the pH from 3.77 to 3.91. The GC analysis identified the presence of volatile carboxylic acids, particularly acetic acid, in concentrations between 4020 and 5040 mg/L. HPLC identified the presence of furfural and hydroxymethylfurfural, whose concentrations decrease exponentially and linearly along with the temperature between 686.7 and 0.0, and 443.9 and 0.0 mg/L, respectively, being both compounds not detectable at 250 °C. The elemental/ultimate analysis of solid products shows that carbon content increases, while the oxygen and hydrogen contents decrease, along with the temperature. The H/C and O/C ratios decrease linearly as process temperature increases, and the high heating value (HHV) of solid reaction products, an energy densified material, changes sharply between 200 and 225 °C, showing an increase with temperature. The SEM, EDX, and XDR indicates a change on the morphology and mineralogical phases present in solid reaction products with temperature, particularly at 250 °C. The activated solid phase has proven to be very selective to adsorb acetic acid, showing that recovery of acetic acid from hydrothermal carbonization/liquefaction aqueous solutions is feasible by using a multistage-stage adsorption process in series.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"24 10 1","pages":"117-130"},"PeriodicalIF":0.0,"publicationDate":"2016-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82682630","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2016-10-17DOI: 10.6000/1929-5030.2016.05.03.3
A. Abourriche, M. Oumam, A. Benhammou, M. Mouiya, Y. E. Hafiane, Y. Abouliatim, L. Nibou, H. Hannache, M. Birot, R. Pailler, R. Naslain
In the present work, the effect of phenol on the supercritical extraction of the organic matter from Tarfaya's oil shale with toluene was evaluated. The experimental results showed clearly that phenol had a significant effect on the yield and the composition of the oils obtained. Moreover, it was shown that phenol was a very efficient modifier for oil shale, giving a good yield of recovery and a suitable maturation of the organic matter. The pitches prepared by mixing phenol and toluene contain more aromatics and have a high char yield at 950 °C compared to those obtained by extraction with supercritical toluene alone.
{"title":"Effects of Phenol Addition on Oil Extraction from Moroccan Oil Shale by Supercritical Toluene","authors":"A. Abourriche, M. Oumam, A. Benhammou, M. Mouiya, Y. E. Hafiane, Y. Abouliatim, L. Nibou, H. Hannache, M. Birot, R. Pailler, R. Naslain","doi":"10.6000/1929-5030.2016.05.03.3","DOIUrl":"https://doi.org/10.6000/1929-5030.2016.05.03.3","url":null,"abstract":"In the present work, the effect of phenol on the supercritical extraction of the organic matter from Tarfaya's oil shale with toluene was evaluated. The experimental results showed clearly that phenol had a significant effect on the yield and the composition of the oils obtained. Moreover, it was shown that phenol was a very efficient modifier for oil shale, giving a good yield of recovery and a suitable maturation of the organic matter. The pitches prepared by mixing phenol and toluene contain more aromatics and have a high char yield at 950 °C compared to those obtained by extraction with supercritical toluene alone.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"32 1","pages":"131-138"},"PeriodicalIF":0.0,"publicationDate":"2016-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73686791","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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