Search results for "isothermal"
showing 10 items of 212 documents
Finite-size scaling in a microcanonical ensemble
1988
The finite-size scaling technique is extended to a microcanonical ensemble. As an application, equilibrium magnetic properties of anL×L square lattice Ising model are computed using the microcanonical ensemble simulation technique of Creutz, and the results are analyzed using the microcanonical ensemble finite-size scaling. The computations were done on the multitransputer system of the Condensed Matter Theory Group at the University of Mainz.
Classical and Quantum Two-Dimensional Fluids in the Gibbs Ensemble
1994
We study the properties of model fluids in two spatial dimensions with Gibbs ensemble Monte Carlo (GEMC) techniques. In particular in the first part of the paper we study the entropy driven phase separation in case of a nonadditive symmetric hard disc fluid and locate by a combination of GEMC with finite size scaling techniques the critical line of nonadditivities as a function of the system density, which separates the mixing/demixing regions, we compare with a simple approximation. In the second part we successfully combine path integral Monte Carlo (PIMC) and GEMC techniques in order to locate the gas-liquid coexistence densities for a fluid with classical degrees of freedom and internal…
Gas—liquid chromatographic analyses
1984
Abstract The gas chromatography (GC) of n -alkyl acetates (CH 3 COOR), chloroacetates (CH 2 ClCOOR), dichloroacetates (CHCl 2 COOR) and trichloroacetates (CCl 3 COOR), where the alcohol chain length (R) varied between 1 and 8, and certain of their monochlorinated derivatives, 176 compounds altogether, has been studied on SE-30 and OV-351 glass capillary columns under the same operating conditions. The isomeric monochlorinated esters are eluted in direct order from the 1- chloro to the ω-chloro isomer, the separation of the isomers being complete on OV- 351. On SE-30, however, the peaks of the 6- and 7-chlorooctyl esters are partly overlapped. The separation of the mixtures of odd- and e…
Thermodynamic analysis of binding between drugs and glycosaminoglycans by isothermal titration calorimetry and fluorescence spectroscopy
2007
The thermodynamics of the interaction of positively charged drug molecules with negatively charged glycosaminoglycans (GAGs) is investigated by isothermal titration calorimetry (ITC) and fluorescence spectroscopy. The drugs considered are propranolol hydrochloride, tacrine, and aminacrine, and the polymers used as model GAGs are dextran sulfate, chondroitin sulfate, and hyaluronic acid. The ITC results show that the interaction between drugs and GAGs is via direct binding and that GAGs bind to drugs at one set of sites. Large negative values of heat capacity change (DeltaC(p)) are observed upon binding of GAGs to drugs. Such negative DeltaC(p) is not expected for purely electrostatic intera…
Natural fluorapatite as a raw material for Portland clinker
2018
Abstract The present work focuses on the mineralogy and the reactivity of clinkers made from the integration of natural fluorapatite in the raw meals with percentages ranging from 0 up to15%. The samples were characterized by infrared spectrometry, X-ray diffraction and microscopy techniques. The distribution of phosphorous and fluorine into clinkers minerals was determined by MEB/EDS mapping. The mineralogical composition was determined by XRD/Rietveld and the samples reactivity followed by isothermal microcalorimetry. It has been found that fluorine stabilizes C3S and β-C2S which still are found with high levels of P2O5. Cements obtained from up to 8% natural fluorapatite incorporation st…
Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers
2015
The compression and thermal expansion of crystalline 1,2,4-trichlorobenzene, C6H3Cl3, 124TCB, investigated under isobaric and isothermal conditions, are in reverse relation, as for most of crystals, however, the isochoric strain along direction c is clearly different from those along a and b. Single crystals of 124TCB have been in situ grown under isochoric and isobaric conditions, at 270 K/0.1 MPa and 295 K/0.16 GPa, and also at 100 K/0.1 MPa and 295 K/0.64 GPa, when the unit-cell volume is similar. All crystallizations yielded the same phase, of monoclinic space group P21/n, with two symmetry-independent molecules (Z′ = 2). The structure is governed by Cl⋯Cl and Cl⋯H interactions and the …
Application of solid-state electrochemistry techniques to polyfunctional organic–inorganic hybrid materials: The Maya Blue problem
2013
Abstract The time evolution of indigo plus palygorskite powdered mixtures during isothermal heating at different temperatures between 120 and 180 °C to form Maya Blue-type materials has been monitored by means of infrared spectrometry, diffuse reflectance spectrometry in the visible region and solid state electrochemical techniques. The kinetics of the formation process of such materials can be described in terms of two consecutive reactions, the first one consisting of the loss of zeolitic water of the palygorskite coupled with clay-indigo attachment and partial indigo to denydroindigo oxidation. The palygorskite dehydration acts as a rate-determining step fitting to a 3D Avrami-Erofe’ev k…
Effect of Experimental and Sample Factors on Dehydration Kinetics of Mildronate Dihydrate: Mechanism of Dehydration and Determination of Kinetic Para…
2014
The dehydration kinetics of mildronate dihydrate [3-(1,1,1-trimethylhydrazin-1-ium-2-yl)propionate dihydrate] was analyzed in isothermal and nonisothermal modes. The particle size, sample preparation and storage, sample weight, nitrogen flow rate, relative humidity, and sample history were varied in order to evaluate the effect of these factors and to more accurately interpret the data obtained from such analysis. It was determined that comparable kinetic parameters can be obtained in both isothermal and nonisothermal mode. However, dehydration activation energy values obtained in nonisothermal mode showed variation with conversion degree because of different rate-limiting step energy at hi…
Glass capillary gas chromatography of chlorinated methyl acetates, propanoates and butanoates on Carbowax 20M and SE-30 columns
1982
The gas chromatography of all chlorinated methyl acetates, methyl propanoates and methyl mono- and dichlorobutanoates has been studied on Carbowax 20M and SE-30 glass capillary columns under various running conditions. The order of elution on a non-polar column was largely determined by the boiling point of esters, whereas on a polar column it was much influenced by the structure of compounds. Complete separation of the combined mixture of all 27 compounds could not be achieved, however, methyl 3,3-dichlorobutanoate was the only ester overlapped on both columns in spite of the various column temperatures used. The best separation of the mixture was on Carbowax 20M with a temperature program…
Gas—liquid chromatographic analyses
1984
Abstract The gas choromatographic retention behaviour of veratrole and all nine chlorinated veratroles was studied on SE-30 and OV-351 capillary columns. Temperature programming from 100°C at 6°C min−1 and isothermal operation at 140, 160, 180 and 200°C were used. The complete separation of a mixture was obtained on SE-30, the isomers being eluted in order of their degree of chlorination. On OV-351, however, the 3,4,5-trichloro and tetrachloro isomers overlap with temperature programming, being separated at 140, 160 and 200°C. Retention indices and increments of retention indices for each position of substitution are examined and the effect of increasing temperature on retention is discusse…