搜索结果: 1-15 共查到“理学 free energy”相关记录16条 . 查询时间(0.13 秒)
A Thermodynamic Framework For Identifying Free Energy Inventories of Enzyme Catalytic Cycles
Steroid Isomerases Catalysis Hydrogen-Ion Concentration Thermodynamics Models, Chemical
2016/5/25
Pauling's suggestion that enzymes are complementary in structure to the activated complexes of the reactions they catalyze has provided the conceptual basis to explain how enzymes obtain their fantast...
Predicting Fixation Tendencies of the H3N2 Influenza Virus by Free Energy Calculation
Fixation Tendencies of the H3N2 Influenza Virus Free Energy Calculation Biomolecules
2012/5/2
Influenza virus evolves to escape from immune system antibodies that bind to it. We used free energy calculations with Einstein crystals as reference states to calculate the difference of antibody bin...
Free Energy and Internal Combustion Engine Cycles
Free Energy Internal Combustion Engine Cycles Chemical Physics
2012/5/17
The performance of one type (Carnot) of Internal Combustion Engine (ICE) cycle is analyzed within the framework of thermodynamic free energies. ICE performance is different from that of an External Co...
Phase equilibria of polydisperse hydrocarbons: moment free energy method analysis
equilibria of polydisperse hydrocarbons free energy method analysis
2011/3/2
We analyze the phase equilibria of systems of polydisperse hydrocar-bons by means of the recently introduced moment method. Hydrocarbons are modelled with the Soave-Redlick-Kwong and Peng-Robinson equ...
Nonequilibrium free energy, H theorem and self-sustained oscillations for Boltzmann-BGK descriptions of semiconductor superlattices
Nonequilibrium processes Boltzmann equation current fluctuations
2010/11/22
Semiconductor superlattices (SL) may be described by a Boltzmann-Poisson kinetic equation with a Bhatnagar-Gross-Krook (BGK) collision term which preserves charge, but not momentum or energy.
Free energy computations by minimization of Kullback-Leibler divergence: an efficient adaptive biasing potential method for sparse representations
Free energy Kullback-Leibler divergence
2010/11/17
The present paper proposes an adaptive biasing potential for the computation of free energy landscapes. It is motivated by statistical learning arguments and unifies the tasks of biasing the molecula...
Two-point generating function of the free energy for a directed polymer in a random medium
Directed polymer Lieb-Liniger Bose gas Kardar-Parisi-Zhang equation
2010/11/24
We consider a 1+1 dimensional directed continuum polymer in a Gaussian delta-correlated space-time random potential. For this model the moments (= replica)of the partition function, Z(x, t), can be ex...
Effect of Disclination Lines on Free Energy of Nematic Liquid Crystals
director field disclination line free energy saddle-splay bifurcation
2007/8/15
2005Vol.44No.2pp.213-222DOI:
Effect of Disclination Lines on Free Energy of Nematic Liquid Crystals
YANG Guo-Hong,1
ZHANG Hui,2 TIAN Li-Jun,1 WANG Yu-Sheng,1 and DUAN Yi-Shi3
...
Contribution of Disclination Lines to Free Energy of
Liquid Crystals in Single-Elastic Constant Approximation
director field disclination line free energy Lagrangian multiplier
2007/8/15
2004Vol.42No.2pp.185-188DOI:
Contribution of Disclination Lines to Free Energy of
Liquid Crystals in Single-Elastic Constant Approximation
YANG Guo-Hong,1 WANG Yu-Sheng,1 and DUAN...
Group Contributions to the Solvation Free Energy from MST Continuum Calculations
the Solvation Free Energy MST Continuum Calculations
2010/10/18
Group contributions to the free energy of solvation in water and octanol as well as to the octanol/water partition coefficient have been determined from Miertus-Scrocco-Tomasi continuum calculations. ...
Surface Free Energy Components of Clay-Synthetic Humic Acid Complexes from Contact-Angle Measurements
Adsorption Aggregate stability Humic acid Montmoriltonite Surface free energy Wettability
2011/11/30
Abstract: The surface free energy components of clay-organic complexes were determined to assess to what extent an organic adsorbate modified the surface properties of the mineral, insofar as the stab...
Influence of Dodecylamine Chloride on the Surface Free Energy of Kaolinite
Contact angle Dodecylamine chloride Hydrophobicity Kaolinite Surface free energy
2011/11/30
Abstract: Contact angles of glycerol and diiodomethane drops were measured on the surface of kaolin pellets covered with different amounts of dodecylamine chloride (DDACl) to as much as one monolayer....
Influence of Exchangeable Cations on the Surface Free Energy of Kaolinite as Determined from Contact Angles
Contact angle Dispersion Kaolinite Surface free energy Wettability
2012/1/5
The influence of adsorbed H+, Na+, K+, Ca2+, Mg2+, Ba2+, and Al3+ ions on the wettability of a kaolinite surface was determined from contact angles, which were measured in kaolinite-water drop- air (s...
Determination of Surface Free Energy of Kaolinite
Adsorption Film pressure Free energy Kaolinite n-Octane Surface Water
2012/1/10
The adsorption of n-octane and water vapor on natural kaolinite was measured. From adsorption isotherms film pressures were determined which were then used to calculate the dispersion and nondispersio...
Components of Surface Free Energy of Some Clay Minerals
Bentonite Dispersion Free energy Kaolinite Montmorillonite Surface Wetting contact angle
2012/1/9
The wetting contact angle was measured for water drops settled on the surface of pressed discs of kaolinite, alumina, bentonite, marble, montmorillonite, and quartzite immersed in hexane, octane, dode...