Insertion of benzothiazolium compounds into montmorillonite interlayers

Benzothiazolium compounds exhibit pronounced antimicrobial activities and stimulation effects on plant growth. When applied to fields they can pollute soil colloids. In contact with the soil they can potentially interact with a clay fraction giving rise to clay organocomplexes. Model intercalation complexes were prepared using monoionic montmorillonite and a variety of water-soluble benzothia zolium salts. It was found that the adsorption into the silicate interlayer space proceeds via a cation exchange process. Substantial differences were observed in the extent of the reaction between non-substituted andN-substituted species. The sulphur atoms present in the benzothiazolium molecules repel the surface oxygen atom: this is considered to be the factor responsible for prevention of insertion of the guest cations perpendicular to the layers.     

Macroscopic non-equilibrium thermodynamics in dynamic calorimetry

What is really measured in dynamic calorimetric experiments is still an open question. This paper is devoted to this question, which can be usefully envisaged by means of macroscopic non-equilibrium thermodynamics. From the pioneer work of De Donder on chemical reactions and with other authors along the 20th century, the question is tackled under an historical point of view. A special attention is paid about the notions of frequency dependent complex heat capacity and entropy production due to irreversible processes occurring during an experiment. This phenomenological approach based on thermodynamics, not widely spread in the literature of calorimetry, could open significant perspectives on the study of macro-systems undergoing physico-chemical transformations probed by dynamic calorimetry.     

Statistical mechanics of warm and cold unfolding in proteins

We present a statistical mechanics treatment of the stability of globular proteins which takes explicitly into account the coupling between the protein and water degrees of freedom. This allows us to describe both the cold and the warm unfolding, thus qualitatively reproducing the known thermodynamics of proteins. Received: 19 March 1998 / Revised and Accepted: 25 May 1998     

The phase diagram of a single polymer chain: New insights from a new simulation method

We present simulation results for the phase behavior of a single chain for a flexible lattice polymer model using the Wang-Landau sampling idea. Applying this new algorithm to the problem of the homopolymer collapse allows us to investigate not only the high temperature coil–globule transition but also an ensuing crystallization at lower temperature. Performing a finite size scaling analysis on the two transitions, we show that they coincide for our model in the thermodynamic limit corresponding to a direct collapse of the random coil into the crystal without intermediate coil–globule transition. As a consequence, also the many chain phase diagram of this model can be predicted to consist only of gas and crystal phase in the limit of infinite chain length. This behavior is in agreement with findings on the phase behavior of hard-sphere systems with a relatively short-ranged attractive square well. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 2542–2555, 2006     

Viscometric study of gelatin in dilute aqueous solutions

The viscosities of aqueous solutions of gelatin at different temperatures were carefully measured in a common glass‐capillary Ubbelohde viscometer at dilute to extremely dilute concentrations. The adsorption effect that occurred in the viscosity measurements was theoretically analyzed and discussed. A theory based on Langmuir isotherms could adequately describe the existing data. Some structural information was obtained by the use of an iterative fitting procedure to treat the reduced viscosity data, which disclosed that individual gelatin chains underwent a coil‐to‐helix transition as the solution cooled from 40 to 15 °C. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 1804–1812, 2006     

Theoretical Analysis of the Motional Model of Nonlinear Heterogeneous Catalysis

In this paper, a model of the motional nonlinear heterogeneous catalysis process is discussed using the characteristic line method, the analytical results of elution profile are obtained and the formula which determines the parameters of reaction rate and adsorption isotherm through the motional measurement data under the nonlinear condition is given.     

甲烷分子在碱性催化剂上的吸附与酸碱活化机理

以碳酸锶为甲烷吸附活化的模型催化剂，用切换变应答、ＣＨ４（ＣＯ２）－ＴＰＤ等技术，对甲烷的吸附、碱性对催化剂性能的影响进行了研究，结果表明，甲烷在碳酸锶上的活化显示出明显的酸碱活化机理特征，瞬变应答及ＴＰＤ结果均证明，甲烷在碳酸锶表面有较强的吸附，其脱附温度约３１０℃，关联结果表明，甲烷转化率及Ｃ２烃收率与催化剂表面ＳｒＯ碱性中心浓度有非常一致的顺变关系，因此催化剂表面的酸碱中心可能是甲烷的选择活     

膨润土对结晶紫的吸附

用分光光度、显微电泳和ｘ－射线衍射等方法研究了膨润土对结晶紫的吸附；实验表明，钙型膨润土在吸收结晶紫溶液时，加入钠盐可明显改善吸附效果。     

MONTE CARLO STUDY ON THE CRITICAL ADSORPTION POINT OF BOND-FLUCTUATED POLYMER CHAINS TETHERED ON ADSORBING SURFACES

 The behavior of three-dimensional bond fluctuation model chains tethered on an adsorbing flat surface was simulated by the Monte Carlo method. The dependence of the number of surface contacts M on the interaction strength e and the chain length N was investigated by a finite-size scaling law M = N[a₀ + a₁N^1/v_k + O((N ^1/v_k)²)] for e near the critical adsorption point e_c, i.e., k ≡(e-e_c)/e_c closes to 0. The critical adsorption point was estimated to be e_c = 0.93, and the exponents  = 0.49 and 1/v= 0.57.