Validation of a statistic algorithm applied to LES model - Part I: First and second order statistics

The main objective of this work is to develop a statistical algorithm to process the data generated by the Large-Eddy-Simulation model (LES) in real time. The simulations analyzed here were based on a convective, neutral and stable periods. Mainly the temperature and velocity components were analyzed. The new statistical algorithm generates all the first and second order statistic moments for “u,v,w, ¿ ,q”, and the components of TKE equation budget. All these parameters were developed to the resolved and sub-grid scales and indicate agreement with the expected profile

Fumonisin B1 And Ochratoxin A In Beers Made In Brazil

Samples of beer made in Brazil were analyzed for the presence of fumonisin B1 (FB1) and ochratoxin A (OTA). FB1 was searched for in 58 beer samples from 30 plants located in nine states. The samples were concentrated and cleaned up with strong ion exchange column, derivatized with OPA and analyzed by HPLC with fluorescence detection. The limit of detection was 0.26 ng.mL-1 and the average recovery was 98%. Twenty-five samples contained FB1 ranging from 1 to 40 ng.mL -1. Beer (123 samples) from 36 plants located in 5 states were analyzed for OTA by means of immunoaffinity column cleanup followed by liquid chromatography associated with fluorescence. The detection limit was 0.1 ng.mL-1 and the average recovery was 92%. Five samples contained OTA in concentrations from 1 to 18 ng.mL-1. The results indicate that FB1 and OTA contamination in Brazilian beer is not geographically limited and that beer does not contribute significantly to FB1 intake by consumers. In the case of regular high ingestion, beer could contribute sizably to OTA, intake although still below the maximum considered tolerable for the toxin.272317323ALBERTS, J.F., Effects of temperature and incubation period on production of fumonisin B1 by Fusarium moniliforme (1990) Appl. Environ. Microbiol, 56 (6), pp. 1729-1733BAXTER, D., SLAIDING, I.R., KELLY, B., Behavior of ochratoxin A in brewing (2001) J. Am. Soc. Brewing Chem, 59 (3), pp. 98-100BENFORD, D. et al. Ochratoxin A. In: WHO FOOD ADDITIVES SERIES N. 47, Safety evaluation of certain mycotoxins in food. Geneva: World Health Organization, 2001. p. 281-415BENNETT, G.A., Distribution of fumonisins in food and feed products prepared from contaminated corn (1996) Fumonisins in food, pp. 317-322. , JACKSON, L. S, DE VRIES, J. W, BULLERMAN, L. B, eds, New York: PlenumBOLGER, M. et al. Fumonisins. In: WHO FOOD ADDITIVES SERIES N. 47, Safety evaluation of certain mycotoxins in food. Geneva: World Health Organization, 2001. p. 103-279BULLERMAN, L.B., Occurrence of Fusarium and fumonisins on food grains and in foods (1996) Fumonisins in food, pp. 27-38. , JACKSON, L. S, DE VRIES, J. W, BULLERMAN, L. B, eds, New York: PlenumBULLERMAN, L.B., TSAI, W.J., Incidence and levels of Fusarium moniliforme, Fusarium proliferatum and fumonisins in corn and corn-based foods and feeds (1994) J. Food Protection, 57 (6), pp. 541-546CAMARGOS, S.M., MACHINSKI, J.M., VALENTE SOARES, L.M., Avaliação de métodos para determinação de fumonisinas B1 e B2 em milho (1999) Rev. Inst. Adolfo Lutz, 58 (2), pp. 71-79CAWOOD, M.E., Isolation of the fumonisin mycotoxins - a quantitative approach (1991) J. Agric. Food Chem, 39 (11), pp. 1958-1962CHELKOWSKI, J., LEW, H., Fusarium species of Liseola section occurrence in cereals and ability to produce fumonisins (1992) Microbiol. Alim. Nutr, 10 (1-2), pp. 49-53COLVIN, B.M., HARRISON, L.R., Fumonisin-induced pulmonary edema and hydrothorax in swine (1992) Mycopathologia, 117 (1-2), pp. 79-82DASKO, L., Determination of ochratoxin A in beer (2005) Czech J. Food Sci, 23 (2), pp. 69-73DEGELMANN, P., Determination of ochratoxin A in beer by high-performance liquid chromatography (1999) Chromatographia, 49 (9-10), pp. 543-546DOKO, M.B., VISCONTI, A., Occurrence of fumonisins B1 and B2 in corn and corn-based human foodstuffs in Italy (1994) Food Add. Contam, 11 (4), pp. 433-439GELDERBLOM, W.C.A., Toxicity and carcinogenicity of Fusarium moniliforme metabolite, fumonisin B1, in rats (1991) Carcinogenesis, 12 (7), pp. 1247-1251HENNINGEN, M.R., Fumonisin levels in commercial corn products in Buenos Aires, Argentina (2000) Food Add. Contam, 17 (1), pp. 55-58HENNINGEN, M. R. et al. Fumonisin in corn hybrids grown in Argentina for two consecutive seasons. In: DE KOE, W. J.SAMSON, R. A.VAN EGMOND, H. P.GILBERT, J.SABINO, M. (eds.) Mycotoxins and phycotoxins in perspective at the turn of the millennium. Wageningen: Posen and Looten, 2000b. p. 331-339HLYWKA, J.J., BULLERMAN, L.B., Occurrence of fumonisin B1 and B2 in beer (1999) Food Add. Contam, 16 (8), pp. 319-324JACKSON, L.S., Effects of time, temperature and pH on the stability of fumonisins B1 in an aqueous model system (1996) J. Agric. Food Chem, 44 (4), pp. 906-912JACKSON, L.S., Effects of thermal processing on the stability of fumonisins B2 in an aqueous model system (1996) J. Agric. Food Chem, 44 (10), pp. 1984-1987JORGENSEN, K., Survey of pork, poultry, coffee, beer and pulses for ochratoxin A (1998) Food Add. Contam, 15 (4), pp. 550-554KELLERMAN, T.S., Leukoencephalomalacia in two horses induced by oral dosing of fumonisin B1 (1990) J. Vet. Res, 57 (4), pp. 269-275KUIPER-GOODMAN, T., Risk assessment of ochratoxin A: An update (1996) Food Add. Contam, 13 (SUPPL.EMENT), pp. 53-57KUIPER-GOODMAN, T., SCOTT, P.M., Risk assessment of the mycotoxin Ochratoxin A (1989) Biomed. Environ. Sci, 2 (1), pp. 179-248MACHINSKI, J.M., VALENTE SOARES, L.M., Fumonisins B1 and B2 in Brazilian corn-based food products (2000) Food Add. Contam, 17 (10), pp. 875-879MEDINA, A., Determination of ochratoxin A in beer marketed in Spain by liquid chromatography with fluorescence detection using lead hydroxyacetate as a cleanup agent (2005) J. Chromatogr. A, 1083 (1-2), pp. 7-13NAKAJIMA, M., TSOUBOUCHI, H., MIYASABE, M., A survey of ochratoxin A and aflatoxins in domestic and imported beers in Japan by immunoaffinity and liquid chromatography (1999) J. AOAC Int, 82 (6), pp. 897-902PATEL, S., Surveillance of fumonisins in UK maize based foods and other cereals (1997) Food Add. Contam, 40 (11), pp. 1352-1354PITT, J.I., Penicillium viridicatum, Penicillium verrucosum, and production of ochratoxin A (1987) Appl. Environ. Microbiol, 53 (2), pp. 266-269PLESTINA, R., Nephrotoxicity of cohratoxin A (1996) Food Add. Contam, 13 (SUPPL.EMENT), pp. 49-50POHLAND, A.E., NESHEIM, S., FRIEDMAN, L., Ochratoxin A: A review (1992) Pure Appl. Chem, 64 (9), pp. 1029-1046PRADO, G. et al. Ochratoxin A determination in beer by immunoaffinity column clean-up and high-performance liquid chromatography. Ciênc. Tecnol. Alim., v. 23, suplemento, p. 58-61, 2003(2002) Quantitative detection of ochratoxin A, , R-BIOPHARM RHÔNE LTD, Glasgow, Scotland, 5 pSCOTT, P.M., Natural toxins (1997) Official Methods of Analysis of the AOAC International, , CUNNIF, P, ed, Gaithersburg: AOAC InternationalSCOTT, P.M., KANHERE, S.R., Determination of ochratoxin A in beer (1995) Food Add. Contam, 12 (4), pp. 591-598SCOTT, P.M., LAWRENCE, G.A., Analysis of beer for fumonisins (1995) J. Food Protec, 58 (12), pp. 1379-1382SCOTT, P.M., Fermentation of wort containing added ochratoxin A and fumonisins B1 and B2 (1995) Food Add. Contam, 12 (1), pp. 31-40SCOTT, P.M., Evaluation of enzyme-linked immunosorbent assay for analysis of beer for fumonisins (1997) Food Add. Contam, 14 (5), pp. 445-450SHEPHARD, G.S., Quantitative determination of fumonisin B 1 and B2 by high performance liquid chromatography with fluorescence detection (1990) J. Liquid Chrom, 13 (10), pp. 2077-2087SHEPHARD, G.S., Worldwide survey of fumonisin contamination of corn and corn-based products (1996) J. AOAC Int, 79 (3), pp. 671-687(2006) SINDICATO NACIONAL DE INDÚSTRIAS DA CERVEJA. Dados de consumo, , http://www.sindicerv. com.br, São Paulo, Disponível em:, Acesso em: 15 maioSOLEAS, G.J., YAN, J., GOLDBERG, D.M., Assay of ochratoxin A in wine and beer by high-pressure liquid chromatography photodiode array and gas chromatography mass selective detection (2001) J. Agric. Food Chem, 49 (11), pp. 2733-2740SPEIJERS, J.A., VAN EGMOND, H.P., Worldwide ochratoxin A levels in food and feeds (1993) Human ochratoxicosis ant its pathologies, pp. 85-100. , CREPPY, E. E, CASTEGNARO, M, DIRHEIMER, G, eds, Paris: Libbey EurotextSTOEV, S.D., The role of ochratoxin A as a possible cause of Balkan endemic nephropathy and its risk evaluation (1998) Vet. Human Toxicol, 40 (4), pp. 352-360SYDENHAM, E.W., Fumonisin contamination of commercial corn-based human foodstuffs (1991) J. Agric. Food Chem, 39 (9), pp. 2014-2018TATU, C.A., The etiology of Balkan endemic nephropathy: Still more questions than answers (1998) Environ. Health Perspec, 106 (7), pp. 689-700TANGNI, E.K., Ochratoxin A in domestic and imported beers in Belgium: Occurrence and exposure assessment (2002) Food Add. Contam, 19 (12), pp. 1169-1179TEREM, J., Immunochemical detection of ochratoxin A in black Aspergillus strains (1996) Mycopathol, 134 (1), pp. 171-176THIEL, P.G., The implications of naturally occurring levels of fumonisins in corn for human and animal health (1992) Mycopathol, 117 (1), pp. 3-9THIEL, P.G., Levels of fumonisins B1 and B2 in feeds associated with confirmed cases of equine leukoencephalomalacia (1991) J. Agric. Food Chem, 39 (1), pp. 109-111TORRES, M.R., SANCHIS, V., RAMOS, A.J., Occurrence of fumonisins in Spanish beers analyzed by an enzyme-linked immunosorbent assay method (1998) Int. J. Food Microbiol, 39 (1-2), pp. 139-143VARGA, J., Detection of ochratoxin A in Hungarian wines and beers (2005) Acta Alimen, 34 (4), pp. 381-392VISCONTI, A., DOKO, M.B., Survey of fumonisin production by Fusarium isolated from cereals in Europe (1994) J. AOAC Int, 77 (6), pp. 546-55

Phase diagrams of soluble multi-spin glass models

We include p-spin interactions in a spherical version of a soluble mean-field spin-glass model proposed by van Hemmen. Due to the simplicity of the solutions, which do not require the use of the replica trick, we are able to carry out a detailed investigation of a number of special situations. For p larger or equal to 3, there appear first-order transitions between the paramagnetic and the ordered phases. In the presence of additional ferromagnetic interactions, we show that there is no stable mixed phase, with both ferromagnetic and spin-glass properties.Comment: To appear in Physica

Observational Characterization of the Downward Atmospheric Longwave Radiation at the Surface in the City of São Paulo

This work describes the seasonal and diurnal variations of downward longwave atmospheric irradiance (LW) at the surface in São Paulo, Brazil, using 5-min-averaged values of LW, air temperature, relative humidity, and solar radiation observed continuously and simultaneously from 1997 to 2006 on a micrometeorological platform, located at the top of a 4-story building. An objective procedure, including 2-step filtering and dome emission effect correction, was used to evaluate the quality of the 9-yr-long LW dataset. The comparison between LW values observed and yielded by the Surface Radiation Budget project shows spatial and temporal agreement, indicating that monthly and annual average values of LW observed in one point of São Paulo can be used as representative of the entire metropolitan region of São Paulo. The maximum monthly averaged value of the LW is observed during summer (389 ± 14 W m-2; January), and the minimum is observed during winter (332 ± 12 W m-2; July). The effective emissivity follows the LW and shows a maximum in summer (0.907 ± 0.032; January) and a minimum in winter (0.818 ± 0.029; June). The mean cloud effect, identified objectively by comparing the monthly averaged values of the LW during clear-sky days and all-sky conditions, intensified the monthly average LW by about 32.0 ± 3.5 W m-2 and the atmospheric effective emissivity by about 0.088 ± 0.024. In August, the driest month of the year in São Paulo, the diurnal evolution of the LW shows a minimum (325 ± 11 W m-2) at 0900 LT and a maximum (345 ± 12 W m-2) at 1800 LT, which lags behind (by 4 h) the maximum diurnal variation of the screen temperature. The diurnal evolution of effective emissivity shows a minimum (0.781 ± 0.027) during daytime and a maximum (0.842 ± 0.030) during nighttime. The diurnal evolution of all-sky condition and clear-sky day differences in the effective emissivity remain relatively constant (7% ± 1%), indicating that clouds do not change the emissivity diurnal pattern. The relationship between effective emissivity and screen air temperature and between effective emissivity and water vapor is complex. During the night, when the planetary boundary layer is shallower, the effective emissivity can be estimated by screen parameters. During the day, the relationship between effective emissivity and screen parameters varies from place to place and depends on the planetary boundary layer process. Because the empirical expressions do not contain enough information about the diurnal variation of the vertical stratification of air temperature and moisture in São Paulo, they are likely to fail in reproducing the diurnal variation of the surface emissivity. The most accurate way to estimate the LW for clear-sky conditions in São Paulo is to use an expression derived from a purely empirical approach

Attack intensity of Corythucha ciliata (Hemiptera, Tingidae) on Platanus spp. in an urban area in Portugal: a comparison between pruned and unpruned trees.

Corythucha ciliata (Say, 1832), commonly known as sycamore lace bug (SLB), is an insect species native to North America. Since its accidental introduction in Europe (through Italy) in 1964, it has expanded across most European countries. The arrival of SLB in Portugal is uncertain but its distribution is wide. Sycamore (Platanus spp.), the only host of SLB, is one of the most widespread and important urban tree species in Portugal. It provides a wide range of environmental, social and economical benefits, which have been threatened by the invasion of this pest. SLB damages trees by feeding on the underside of the leaves causing discoloration and eventually premature senescence. While the long-term effect of SLB on the health of urban trees is yet to be fully assessed, there is compelling evidence that pruning further increases SLB damage. In this study we assessed the impact of pruning on the attack intensity of SLB. To test the hypothesis that pruning promotes the invasion of SLB, we compared the intensity of attack of pruned trees with unpruned trees. We collected sycamore leaves from pruned and unpruned trees and then assessed the intensity of attack by scaling damage by visual rating. Our findings show that pruned trees exhibit significantly higher attack intensities than unpruned trees (p < 0,001, χ2 goodness of fit). Based on these findings we recommend that sycamore pruning should be performed with caution (or even ceased), especially in urban areas where SLB is present

Coccinellídeos associados ao olival da Beira Interior

Com o objectivo de obter informação sobre as espécies de coccinelídeos associadas ao olival da Beira Interior, em 2003 e 2004 efectuaram-se amostragens em dois olivais considerados 401 representativos das condições da região. As amostragens decorreram entre Maio e Outubro de cada um dos anos, a uma periodicidade aproximadamente quinzenal, tendo consistido no batimento de dois ramos por árvore em cada uma de 25 árvores seleccionadas ao acaso por olival e data. A quase totalidade das capturas (96,3% em 2003 e 93,2% em 2004), obteve-se entre o início de Julho e o início de Outubro, quando se interromperam as amostragens. Os exemplares capturados identificaram-se como pertencendo a I 5 espécies, isto é: Chilocorus bipustulotus L, Exochomus nigromoculotus (Gze.), Exochomus quodripustulotus L, Plotynaspis luteorubro Gze., Stethorus punctillum Ws.), Scymnus (Scymnus) abietis (Paykull.), Scymnus (Scymnus) apetzi Muls., Scymnus (Scymnus) interruptus Gze., Scymnus (Pu/Jus) mediterraneus Khnz., Scymnus (Pullus) subvillosus Gze., Nephus (Bipunaotus) bisignotus Boheman, Coccinello septempunaoto (L.), Propyloea quotuordecimpuntocto (L), Rhyzabius laphontae (Biaisd.) e Rhyzobius litura Fabr. A espécie capturada em maior número, em qualquer dos olivais e anos de estudo, foi S. interruptus, que representou 61,3% do total de exemplares obtidos

Biological invasion of Corythucha ciliata in green urban spaces in Portugal: a niche modeling approach using maximum entropy

Corythucha ciliata (Hemiptera: Tingidae) é um inseto nativo da América do Norte que foi introduzido na Europa, pela Itália, em 1964. Desde então tem se expandido por toda a Europa, desconhecendo-se a data de chegada e a sua área de distribuição em Portugal. Esta importante praga invasora alimenta-se na face inferior das folhas de plátano, uma das mais importantes árvores ornamentais nos espaços verdes urbanos em Portugal, causando senescência prematura e eventualmente morte, em casos de infestações severas consecutivas. A modelação de nicho está se tornando uma ferramenta cada vez mais importante na gestão de invasões biológicas, tanto antes como depois da introdução do organismo invasor. Neste estudo, o software MaxEnt (máxima entropia) foi usado na modelação da distribuição invasiva potencial de Corythucha ciliata em Portugal, a partir de um conjunto de variáveis ambientais e de dados de presença do inseto, obtidos a partir da observação de folhas de plátanos amostrados por todo o país. De acordo com o melhor modelo gerado pelo MaxEnt, as áreas de maior adequabilidade potencial à invasão de Corythucha ciliata encontram-se no norte de Portugal apresentando o sul e as regiões de maior altitude do norte e centro adequabilidade reduzida ou nula. Observações laboratoriais da biologia de Corythucha ciliata aliadas aos registos de ausência em várias localidades do sul de Portugal e ocorrência predominante na metade norte de Espanha suportam o modelo desenvolvido. Porém, a validação do modelo requer futuras prospecções nas áreas de reduzida adequabilidade e onde a praga se encontrava virtualmente ausente no momento em que foi realizada a amostragem. Os modelos de adequabilidade podem ser usados como ferramenta auxiliar na tomada de decisão no que concerne à gestão dos espaços verdes

Otimização de técnicas de exposição em sistema de radiologia computadorizada (RC) / Optimization of exposure techniques in computerized radiology (RC) system

Em 2009, o Conselho de Ciências da Associação Americana de Física Médica (AAPM), concluiu em seu relatório nº 116, que a dose do paciente tende a aumentar gradualmente ao longo do tempo com a utilização de imagens radiográficas digitais. A falta de padronização dos indicadores de exposição (IE) por diferentes fabricantes e a carência de treinamento prático e objetivo de regras baseadas na exposição do detector de imagem são os fatores mais relevantes. A pesquisa de otimização concentrou-se principalmente na otimização da técnica de exposição para aquisição da imagem de  Radiologia Computadorizada (RC) como meio de implementar o filosofia ALARA. Com a nova tecnologia de aquisição de imagem digital em sistema de RC, os profissionais têm oportunidade de reduzir a dose em pacientes devido a resposta do detector de imagem digital estar linearmente relacionada com a dose de radiação. A aplicação prática deste conhecimento depende fundamentalmente da interação de toda a equipe do serviço de radiologia, de forma que o profissional da radiologia, responsável por estabelecer a técnica de exposição durante o exame radiográfico, e o médico radiologista, responsável por laudar a imagem obtida tenham, não somente, acesso aos dados obtidos pelo físico responsável pela coleta dos dados no processo de controle de qualidade, mas que também seja debatido como a correta utilização destes parâmetros podem resultar em uma real otimização de dose durante a prática clínica sem prejudicar a qualidade do laudo gerado.  

Fibrosarcoma Originating In The Mandible

Fibrosarcoma is a malignant mesenchymal neoplasm of fibroblasts that rarely affects the oral cavity and can cause local recurrences or metastasis. In this article we describe a case of primary fibrosarcoma in the mandible in a 16-year-old girl. Microscopically the tumor showed an intense proliferation of spindle-shaped cells, varying little in size and shape and arranged in parallel bands, partly crossing each other, the mitotic activity was increased and there was nuclear pleomorphism. Immunohistochemically the cells only showed immunoreactivity for vimentin and negativity for S-100 protein, CD 68, cytokeratin cocktail, HMB-45, CD34, pan actin HHF 35, desmin, smooth muscle actin and epithelial membrane antigen (EMA). Based on clinical, radiological, histological and immunohistochemical findings the final diagnosis was high-grade intra-osseous fibrosarcoma. The treatment choice was radical surgery with mandibular reconstruction. After one year and nine months of the treatment the patient displayed multiple metastases. Radiation therapy and chemotherapy were used as adjuvant treatment. Unfortunately, the girl died two years after the initial diagnosis. © Medicina Oral S. L. C.I.F. B 96689336.113191194Lo Muzio, L., Mignogna, M.D., Pannone, G., Staibano, S., Testa, N.F., A rare case of fibrosarcoma of the jaws in a 4-year-old male (1998) Oral Oncol, 34, pp. 383-386Richardson, J.F., Fine, M.A., Goldman, H.M., Fibrosarcoma of the mandible: A clinicopathologic controversy: Report of a case (1972) J Oral Surg, 30, pp. 664-668Mark, R.J., Sercarz, J.A., Tran, L., Selch, M., Calcaterra, T.C., Fibrosarcoma of the Head and Neck. The UCLA experience (1991) Arch Otolaryngol Head Neck Surg, 117, pp. 396-401McKenna, W.G., Barnes, M.M., Kinsella, T.J., Rosenberg, S.A., Lack, E.E., Glatstein, E., Combined modality treatment of adult soft tissue sarcomas of the head and neck (1987) Int J Radiat Oncol Biol Phys, 13, pp. 1127-1133Van Blarcom, C.W., Masson, J.K., Dahlin, D.C., Fibrosarcoma of the mandible. A clinicopathologic study (1971) Oral Surg Oral Med Oral Pathol, 32, pp. 428-439Sadoff, R.S., Rubin, M.M., Fibrosarcoma of the mandible: A case report (1990) J Am Dent Assoc, 121, pp. 247-248Handlers, J.P., Abrams, A.M., Melrose, R.J., Milder, J., Fibrosarcoma of the mandible presenting as a periodontal problem (1985) J Oral Pathol, 14, pp. 351-356Pereira, C.M., Jorge Junior, J., Di Hipólito, O., Kowalski, L.P., Lopes, M.A., Primary intraosseous fibrosarcoma of jaw (2005) Int J Oral Maxillofac Surg, 34, pp. 579-581Antonescu, C.R., Erlandson, R.A., Huvos, A.G., Primary fibrosarcoma and malignant fibrous histiocytoma of bone - A comparitive ultrastructural study: Ecidence of a spectrum of fibroblastic differentiation (2000) Ultrastruct Pathol, 24, pp. 83-91Mosqueda-Taylor, A., Meneses-García, A., Ruíz-Godoyrivera Lm Suárez-Roa, M.I., Luna-Ortiz, K., Malignant odontogenic tumors. A retrospective and collaborative study of seven cases (2003) Med Oral, 8, pp. 110-121Huguet, P., Castellvi, J., Avila, M., Alejo, M., Autonell, F., Basas, C., Ameloblastic fibrosarcoma: Report of a case. Immunohistochemical study and review of the literature (2001) Med Oral, 6, pp. 173-179Yamaguchi, S., Nagasawa, H., Suzuki, T., Fujii, E., Iwaki, H., Takagi, M., Sarcomas of the oral and maxillofacial region: A review of 32 cases in 25 years (2004) Clin Oral Invest, 8, pp. 52-55Lukinmaa, P.L., Hietanen, J., Swan, H., Ylipaavalniemi, P., Perkki, K., Maxillary fibrosarcoma with extracellular immuno-characterization (1988) Br J Oral Maxillofac Surg, 26, pp. 36-4

Thermodynamic characterization of deep eutectic solvents at high pressures

Despite the large spectrum of applications being reported for DESs over the last decade, their thermodynamic characterization is often neglected, hindering a better understanding of their nature, and the development of accurate and robust thermodynamic models to describe them, essential for the conceptual and design stages of new industrial processes. This work aims at decreasing such a gap in literature by reporting new experimental density and viscosity data in wide temperature and pressure ranges for the three archetypal DESs of cholinium chloride, as hydrogen bond acceptor, combined with either ethylene glycol, glycerol, or urea, as hydrogen bond donor. The experimental data measured in this work were then correlated using the Perturbed Chain - Statistical Associating Fluid Theory equation of state coupled with the Free Volume Theory to assess the performance of existing coarse-grained models when applied to the description of DESs. The modelling results obtained highlight the limitation of the existing models, since a correct prediction of DES density could not be achieved, reinforcing the need for viable alternative approaches for the development of coarse-grained models that are appropriate for the thermodynamic modelling of DESs.publishe