U.S.-Hungary Chemical Engineering Research on Phase Equilibrium and Interfacial Properties in Shearing Liquids

INT 9603005 Cummings 这个美国-匈牙利田纳西大学的Peter Cummings博士和布达佩斯布达佩斯的Eotvos大学的Andras Baranyai博士之间的研究项目将使用非平衡分子动力学模拟来详细研究剪切液体的原子/分子界面特性。 在存在或不存在两亲分子的情况下，所用液体可以是液-气或液-液界面。 这项研究，在分子水平上，是作为一个初步的步骤，能够预测的混合或分层行为的聚合物。 在合作方面，美国-匈牙利队打算：1）为这项研究开发模拟算法; 2）在分子水平上模拟剪切界面的结构特性; 3)计算界面的物理性质并量化剪切的影响; 5）开发用于研究稳态剪切系统中相分离的模拟算法。 在此过程中，研究人员将寻找适用于非平衡分离研究的其他可能的模拟方法。 结果预计将有助于我们了解快速流动的条件下，如那些经常出现在化学，石油和天然气工业加工。 这个化学工程研究的联合项目实现了通过使美国和东欧的领先专家能够联合收割机互补人才和在共同感兴趣和能力强的领域汇集资源来推进科学知识的计划目标。 ??

INT 9603005 Cummings This U.S.-Hungary research project between Dr. Peter Cummings of the University of Tennessee and Dr. Andras Baranyai of Eotvos University, Budapest, will examine the interfacial properties of shearing liquids in atomic/molecular detail using nonequilibrium molecular dynamic simulations. The liquids employed may be liquid-vapor or liquid-liquid interfaces in the presence or in the absence of amphiphilic molecules. This study, at the molecular level, is undertaken as a preliminary step toward being able to predict the mixing or demixing behavior of polymers. Collaboratively, the U.S.-Hungarian team intends to: 1) develop simulation algorithms for this study; 2) model the structural properties of shearing interfaces at the molecular level; 3) calculate the physical properties of the interfaces and quantify the effect of the shear; and 5) develop simulation algorithms for the study of phase separation in steady shearing systems. In the process, the researchers will search for other possible simulation methods applicable to the study of nonequilibrium separation. Results are expected to contribute to our understanding of fast flow conditions, such as those arising frequently in chemical, oil and gas industrial processing. This joint project in chemical engineering research fulfills the program objective of advancing scientific knowledge by enabling leading experts in the United States and Eastern Europe to combine complementary talents and pool resources in areas of strong mutual interest and competence. ??