نتایج جستجو برای: pc saft

تعداد نتایج: 41898  

Journal: :The journal of physical chemistry. B 2008
M Carolina dos Ramos Kimberly D Goff Honggang Zhao Clare McCabe

A statistical associating fluid theory for potential of variable range has been recently developed to model dipolar fluids (SAFT-VR+D) [Zhao and McCabe, J. Chem. Phys. 2006, 125, 104504]. The SAFT-VR+D equation explicitly accounts for dipolar interactions and their effect on the thermodynamics and structure of a fluid by using the generalized mean spherical approximation (GMSA) to describe a re...

Journal: :Microporous and Mesoporous Materials 2021

A classical density functional theory (cDFT) based on the PC-SAFT equation of state is proposed for calculation adsorption equilibria pure substances and their mixtures in covalent organic frameworks (COFs). Adsorption isotherms methane, ethane, n-butane nitrogen COFs TpPa-1 2,3-DhaTph are calculated compared to results from grand canonical Monte Carlo (GCMC) simulations. Mixture investigated m...

Journal: :The journal of physical chemistry. B 2006
Honggang Zhao Pedro Morgado Alejandro Gil-Villegas Clare McCabe

The phase behavior of nitrogen + n-alkanes is studied within the framework of the statistical associating fluid theory for potentials of variable range (SAFT-VR). The effect of the quadrupole moment of nitrogen on the phase behavior is considered through an extension of the SAFT-VR equation that includes an additional contribution to the Helmholtz free energy due to quadrupolar interactions. A ...

Journal: :International journal of sports medicine 2016
F M Bossuyt F García-Pinillos R M F Raja Azidin J Vanrenterghem M A Robinson

This study investigated the utility of a 5-min high-intensity exercise protocol (SAFT(5)) to include in prospective cohort studies investigating ACL injury risk. 15 active females were tested on 2 occasions during which their non-dominant leg was analysed before SAFT(5) (PRE), immediately after (POST0), 15 min after (POST15), and 30 min after (POST30). On the first occasion, testing included 5 ...

پایان نامه :دانشگاه بین المللی امام خمینی (ره) - قزوین - دانشکده علوم پایه 1392

معادله حالت برپایه مولکولی نه فقط یک سری اطلاعات ترمودینامیکی پایه ای مانند پتانسیل شیمیایی یا فوگاسیته را که برای شبیه سازی تعادل های فازی مورد نیاز است، محاسبه می کنند، بلکه اجازه جداسازی و سنجش کمّی اثرات ساختار مولکولی و تاثیر خواص توده ای ماده بر روی رفتار فاز را نیز می دهد. مثال هایی از این تاثیرات مانند اندازه مولکول ها و شکل (مثلاً طول زنجیره)، انرژی تجمعی (مانند پیوند هیدروژنی) و انرژی ...

نمودار تعداد نتایج جستجو در هر سال

با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید