نتایج جستجو برای: scaled particle theory

تعداد نتایج: 953881  

Journal: :The Journal of chemical physics 2006
Frank H Stillinger Pablo G Debenedetti Swaroop Chatterjee

We develop an extension of the original Reiss-Frisch-Lebowitz scaled particle theory that can serve as a predictive method for the hard sphere pair correlation function g(r). The reversible cavity creation work is analyzed both for a single spherical cavity of arbitrary size, as well as for a pair of identical such spherical cavities with variable center-to-center separation. These quantities l...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه صنعتی امیرکبیر(پلی تکنیک تهران) - دانشکده مهندسی شیمی 1384

با توجه به اهمیت کاربرد ثابت قانون هنری و نیز مشکلات مربوط به اندازه گیری تجربی این ثابت، از جمله گستردگی ترکیبات شیمیایی، خطاهای اندازه گیری، هزینه بالا و زمانبری نسبتاً طولانی آزمایشات، لزوم ارائه روابط و مدلهای پیشگویی را مشخص می کند. در این بین پیشگویی ثابت قانون هنری ترکیبات آلی در سیستم های زیست محیطی (آب-هوا) از اهمیت ویژه ای برخوردار است. با توجه به مطالعات اولیه انجام گرفته چنین برمی آی...

2013
Myroslav Holovko Taras Patsahan Wei Dong

The scaled particle theory (SPT) is applied to describe thermodynamic properties of a hard sphere (HS) fluid in random porous media. To this purpose, we extended the SPT2 approach, which has been developed previously. The analytical expressions for the chemical potential of an HS fluid in HS and overlapping hard sphere (OPH) matrices, sponge matrix, and hard convex body (HCB) matrix are obtaine...

Journal: :The Journal of chemical physics 2006
Swaroop Chatterjee Pablo G Debenedetti Frank H Stillinger

We use the extension of scaled particle theory presented in the accompanying paper [F. H. Stillinger et al., J. Chem. Phys. 125, 204504 (2006)] to calculate numerically the pair correlation function of the hard sphere fluid over the density range 0< or =rhosigma(3)< or =0.96. Comparison with computer simulation results reveals that the new theory is able to capture accurately the fluid's struct...

Journal: :Physical review. E, Statistical, nonlinear, and soft matter physics 2002
Reimar Finken Matthias Schmidt Hartmut Löwen

We investigate the system of D-dimensional hard spheres in D-dimensional space, where D>3. For the fluid phase of these hyperspheres, we generalize scaled-particle theory to arbitrary D and furthermore use the virial expansion and the Percus-Yevick integral equation. For the crystalline phase, we adopt cell theory based on elementary geometrical assumptions about close-packed lattices. Regardle...

2008
S. V. Lishchuk

The scaled-particle theory equation of state for the two-dimensional hard-disk fluid on a curved surface is proposed and used to determine the saddle-splay modulus of a particle-laden fluid interface. The resulting contribution to saddle-splay modulus, which is caused by thermal motion of the adsorbed particles, is comparable in magnitude with the saddlesplay modulus of a simple fluid interface.

Journal: :Biophysical journal 1999
T Heimburg B Angerstein D Marsh

Binding isotherms have been determined for the association of horse heart cytochrome c with dioleoyl phosphatidylglycerol (DOPG)/dioleoyl phosphatidylcholine (DOPC) bilayer membranes over a range of lipid compositions and ionic strengths. In the absence of protein, the DOPG and DOPC lipids mix nearly ideally. The binding isotherms have been analyzed using double layer theory to account for the ...

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