.png){kind=icon}
返回
A multi-scale framework for multi-phase equilibrium flash
.png){kind=icon}
PRE
AI
DOI：10.1016/j.compchemeng.2011.07.011.png)
.png){kind=icon}
原文求助.png){kind=icon}
分享.png){kind=icon}
收藏
摘要
En 中文
A general multi-scale framework for multi-component, multi-phase equilibrium flash calculations, which uses information at the molecular and bulk fluid length scales, is described. The multi-scale Gibbs-Helmholtz constrained (GHC) EOS approach of Lucia (2010) is extended to include the use of (1) coarse grained NTP Monte Carlo simulations to gather pure component internal energies of departure, (2) a new linear mixing rule for internal energies of departure for mixtures, (3) a novel expression for partial fugacity coefficients for the GHC EOS, and (4) a novel flash algorithm that uses complex-valued compressibility factors and densities to assist in phase existence determination. Many numerical results for mixtures of CO2-water, NaCl-water, and CO2-NaCl-water are used to show that the GHC EOS flash approach is superior to all other approaches currently available. Many geometric illustrations are presented to elucidate key concepts and many experimental validations are used to substantiate claims of superiority. (C) 2011 Elsevier Ltd. All rights reserved.
Keyword:
Gibbs-Helmholtz constrained cubic equation of state
Monte Carlo simulation
Multi-scale modeling
Multi-phase equilibrium flash
期刊
C
IF:
3.9
论文数:
8.1K
被引数:
1.7W
机构
引用论文
Rodent ultrasonic communication and its relevance for models of neuropsychiatric disorders.png)
e-Neuroforum
OAAI
e-NeuroforumIF0
OAAI分享收藏
分享收藏Randomized controlled study of the T‐type calcium channel antagonist MK‐8998 for the treatment of acute psychosis in patients with schizophreniaT型钙通道拮抗剂mk ‐ 8998治疗精神分裂症急性精神病的随机对照研究
PREAI
分享收藏CONTROLLED TRIAL OF TAMOXIFEN AS ADJUVANT AGENT IN MANAGEMENT OF EARLY BREAST CANCERThe Lancet
The LancetIF0
PREAI
分享收藏The Development and Validation of a Measure of Health-Related Quality of Life for Non-Hodgkin’s Lymphoma: The Functional Assessment of Cancer Therapy—Lymphoma (FACT-Lym)LymphomaOAAI
LymphomaIF0
OAAI分享收藏
查看更多内容